1,5-dimethyltetrazole;2,5-dimethyltetrazole;ethane;bis(1-methyltriazole);bis(1-methyl-1,2,4-triazole);2-methyltriazole;4-methyl-1,2,4-triazole;2,4,5-trimethyltriazole;3,4,5-trimethyl-1,2,4-triazole

C50H108N32 — CID 157052208

IUPAC1,5-dimethyltetrazole;2,5-dimethyltetrazole;ethane;bis(1-methyltriazole);bis(1-methyl-1,2,4-triazole);2-methyltriazole;4-methyl-1,2,4-triazole;2,4,5-trimethyltriazole;3,4,5-trimethyl-1,2,4-triazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.Cc1nn(C)nc1C.Cc1nnc(C)n1C.Cc1nnn(C)n1.Cc1nnnn1C.Cn1ccnn1.Cn1ccnn1.Cn1cncn1.Cn1cncn1.Cn1cnnc1.Cn1nccn1
InChIInChI=1S/2C5H9N3.2C3H6N4.6C3H5N3.8C2H6/c1-4-6-7-5(2)8(4)3;1-4-5(2)7-8(3)6-4;1-3-4-5-6-7(3)2;1-3-4-6-7(2)5-3;1-6-2-4-5-3-6;2*1-6-3-4-2-5-6;2*1-6-3-2-4-5-6;1-6-4-2-3-5-6;8*1-2/h2*1-3H3;2*1-2H3;6*2-3H,1H3;8*1-2H3
InChIKeyAAINUCJQPQSAKC-UHFFFAOYSA-N
MW1157.64 g/mol
LogP7.00
Rot. Bonds

About 1,5-dimethyltetrazole;2,5-dimethyltetrazole;ethane;bis(1-methyltriazole);bis(1-methyl-1,2,4-triazole);2-methyltriazole;4-methyl-1,2,4-triazole;2,4,5-trimethyltriazole;3,4,5-trimethyl-1,2,4-triazole

1,5-dimethyltetrazole;2,5-dimethyltetrazole;ethane;bis(1-methyltriazole);bis(1-methyl-1,2,4-triazole);2-methyltriazole;4-methyl-1,2,4-triazole;2,4,5-trimethyltriazole;3,4,5-trimethyl-1,2,4-triazole (PubChem CID 157052208) has the molecular formula C50H108N32 and a molecular weight of 1157.64 g/mol. Its IUPAC name is 1,5-dimethyltetrazole;2,5-dimethyltetrazole;ethane;bis(1-methyltriazole);bis(1-methyl-1,2,4-triazole);2-methyltriazole;4-methyl-1,2,4-triazole;2,4,5-trimethyltriazole;3,4,5-trimethyl-1,2,4-triazole.

Molecular Properties

Compound Name1,5-dimethyltetrazole;2,5-dimethyltetrazole;ethane;bis(1-methyltriazole);bis(1-methyl-1,2,4-triazole);2-methyltriazole;4-methyl-1,2,4-triazole;2,4,5-trimethyltriazole;3,4,5-trimethyl-1,2,4-triazole
PubChem CID157052208
Molecular FormulaC50H108N32
Molecular Weight1157.64 g/mol
Exact Mass1156.94
IUPAC Name1,5-dimethyltetrazole;2,5-dimethyltetrazole;ethane;bis(1-methyltriazole);bis(1-methyl-1,2,4-triazole);2-methyltriazole;4-methyl-1,2,4-triazole;2,4,5-trimethyltriazole;3,4,5-trimethyl-1,2,4-triazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.Cc1nn(C)nc1C.Cc1nnc(C)n1C.Cc1nnn(C)n1.Cc1nnnn1C.Cn1ccnn1.Cn1ccnn1.Cn1cncn1.Cn1cncn1.Cn1cnnc1.Cn1nccn1
InChIInChI=1S/2C5H9N3.2C3H6N4.6C3H5N3.8C2H6/c1-4-6-7-5(2)8(4)3;1-4-5(2)7-8(3)6-4;1-3-4-5-6-7(3)2;1-3-4-6-7(2)5-3;1-6-2-4-5-3-6;2*1-6-3-4-2-5-6;2*1-6-3-2-4-5-6;1-6-4-2-3-5-6;8*1-2/h2*1-3H3;2*1-2H3;6*2-3H,1H3;8*1-2H3
InChIKeyAAINUCJQPQSAKC-UHFFFAOYSA-N
XLogP7.00
TPSA332.88 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001157.64
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Analyze 1,5-dimethyltetrazole;2,5-dimethyltetrazole;ethane;bis(1-methyltriazole);bis(1-methyl-1,2,4-triazole);2-methyltriazole;4-methyl-1,2,4-triazole;2,4,5-trimethyltriazole;3,4,5-trimethyl-1,2,4-triazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyltetrazole;2,5-dimethyltetrazole;ethane;bis(1-methyltriazole);bis(1-methyl-1,2,4-triazole);2-methyltriazole;4-methyl-1,2,4-triazole;2,4,5-trimethyltriazole;3,4,5-trimethyl-1,2,4-triazole?
The IUPAC name of 1,5-dimethyltetrazole;2,5-dimethyltetrazole;ethane;bis(1-methyltriazole);bis(1-methyl-1,2,4-triazole);2-methyltriazole;4-methyl-1,2,4-triazole;2,4,5-trimethyltriazole;3,4,5-trimethyl-1,2,4-triazole (CID 157052208) is 1,5-dimethyltetrazole;2,5-dimethyltetrazole;ethane;bis(1-methyltriazole);bis(1-methyl-1,2,4-triazole);2-methyltriazole;4-methyl-1,2,4-triazole;2,4,5-trimethyltriazole;3,4,5-trimethyl-1,2,4-triazole.
What is the SMILES notation for 1,5-dimethyltetrazole;2,5-dimethyltetrazole;ethane;bis(1-methyltriazole);bis(1-methyl-1,2,4-triazole);2-methyltriazole;4-methyl-1,2,4-triazole;2,4,5-trimethyltriazole;3,4,5-trimethyl-1,2,4-triazole?
The canonical SMILES for 1,5-dimethyltetrazole;2,5-dimethyltetrazole;ethane;bis(1-methyltriazole);bis(1-methyl-1,2,4-triazole);2-methyltriazole;4-methyl-1,2,4-triazole;2,4,5-trimethyltriazole;3,4,5-trimethyl-1,2,4-triazole is CC.CC.CC.CC.CC.CC.CC.CC.Cc1nn(C)nc1C.Cc1nnc(C)n1C.Cc1nnn(C)n1.Cc1nnnn1C.Cn1ccnn1.Cn1ccnn1.Cn1cncn1.Cn1cncn1.Cn1cnnc1.Cn1nccn1.
What is the InChIKey of 1,5-dimethyltetrazole;2,5-dimethyltetrazole;ethane;bis(1-methyltriazole);bis(1-methyl-1,2,4-triazole);2-methyltriazole;4-methyl-1,2,4-triazole;2,4,5-trimethyltriazole;3,4,5-trimethyl-1,2,4-triazole?
The InChIKey is AAINUCJQPQSAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H9N3.2C3H6N4.6C3H5N3.8C2H6/c1-4-6-7-5(2)8(4)3;1-4-5(2)7-8(3)6-4;1-3-4-5-6-7(3)2;1-3-4-6-7(2)5-3;1-6-2-4-5-3-6;2*1-6-3-4-2-5-6;2*1-6-3-2-4-5-6;1-6-4-2-3-5-6;8*1-2/h2*1-3H3;2*1-2H3;6*2-3H,1H3;8*1-2H3.
What are the key properties of 1,5-dimethyltetrazole;2,5-dimethyltetrazole;ethane;bis(1-methyltriazole);bis(1-methyl-1,2,4-triazole);2-methyltriazole;4-methyl-1,2,4-triazole;2,4,5-trimethyltriazole;3,4,5-trimethyl-1,2,4-triazole?
1,5-dimethyltetrazole;2,5-dimethyltetrazole;ethane;bis(1-methyltriazole);bis(1-methyl-1,2,4-triazole);2-methyltriazole;4-methyl-1,2,4-triazole;2,4,5-trimethyltriazole;3,4,5-trimethyl-1,2,4-triazole has a molecular weight of 1157.64 g/mol, XLogP of 7.00, 0 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyltetrazole;2,5-dimethyltetrazole;ethane;bis(1-methyltriazole);bis(1-methyl-1,2,4-triazole);2-methyltriazole;4-methyl-1,2,4-triazole;2,4,5-trimethyltriazole;3,4,5-trimethyl-1,2,4-triazole is sourced from PubChem (CID 157052208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).