1,5-dimethyltetrazole;1,4-dimethyltriazole;1-methyltetrazole;1-methyltriazole

C12H22N14 — CID 165059176

IUPAC1,5-dimethyltetrazole;1,4-dimethyltriazole;1-methyltetrazole;1-methyltriazole
SMILESCc1cn(C)nn1.Cc1nnnn1C.Cn1ccnn1.Cn1cnnn1
InChIInChI=1S/C4H7N3.C3H6N4.C3H5N3.C2H4N4/c1-4-3-7(2)6-5-4;1-3-4-5-6-7(3)2;1-6-3-2-4-5-6;1-6-2-3-4-5-6/h3H,1-2H3;1-2H3;2-3H,1H3;2H,1H3
InChIKeyQXOPRKDFUXPGKO-UHFFFAOYSA-N
MW362.41 g/mol
LogP-1.33
Rot. Bonds

About 1,5-dimethyltetrazole;1,4-dimethyltriazole;1-methyltetrazole;1-methyltriazole

1,5-dimethyltetrazole;1,4-dimethyltriazole;1-methyltetrazole;1-methyltriazole (PubChem CID 165059176) has the molecular formula C12H22N14 and a molecular weight of 362.41 g/mol. Its IUPAC name is 1,5-dimethyltetrazole;1,4-dimethyltriazole;1-methyltetrazole;1-methyltriazole.

Molecular Properties

Compound Name1,5-dimethyltetrazole;1,4-dimethyltriazole;1-methyltetrazole;1-methyltriazole
PubChem CID165059176
Molecular FormulaC12H22N14
Molecular Weight362.41 g/mol
Exact Mass362.22
IUPAC Name1,5-dimethyltetrazole;1,4-dimethyltriazole;1-methyltetrazole;1-methyltriazole
SMILESCc1cn(C)nn1.Cc1nnnn1C.Cn1ccnn1.Cn1cnnn1
InChIInChI=1S/C4H7N3.C3H6N4.C3H5N3.C2H4N4/c1-4-3-7(2)6-5-4;1-3-4-5-6-7(3)2;1-6-3-2-4-5-6;1-6-2-3-4-5-6/h3H,1-2H3;1-2H3;2-3H,1H3;2H,1H3
InChIKeyQXOPRKDFUXPGKO-UHFFFAOYSA-N
XLogP-1.33
TPSA148.62 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.41
LogP ≤ 5-1.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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Related Compounds

1,4-dimethyltriazole;3,4-dimethyl-1,2,4-triazole;1-methyltetrazole;1-methyltriazole
CID 165004783
1,5-dimethyltetrazole;hydrofluoride
CID 153359282
1,4-dimethyltriazole;1-methyl-4-[(1-methyltriazol-4-yl)methyl]triazole
CID 167563396
fluoroform;1-methyltriazole
CID 174723397
1,4-dimethyltriazole;methylcyclobutane
CID 143598410
1-methyl-4-(triazol-1-yl)triazole
CID 173277787
1,5-dimethyltetrazole;2,5-dimethyltetrazole;1-methyl-3-phenyl-1,2,4-triazole;1-methyltetrazole;2-methyltetrazole
CID 161139764
5-methyl-1-[(1-methyltriazol-4-yl)methyl]tetrazole
CID 130616524
ethane;4-ethyl-1-methyltriazole
CID 143593274
1,4-dimethyltriazole;1,4-dimethyl-4H-triazol-1-ium
CID 162078947
(5-methyltetrazol-1-yl)-(tetrazol-1-yl)methanone
CID 87803805
4-methyl-1-propyltriazole
CID 59256869

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyltetrazole;1,4-dimethyltriazole;1-methyltetrazole;1-methyltriazole?
The IUPAC name of 1,5-dimethyltetrazole;1,4-dimethyltriazole;1-methyltetrazole;1-methyltriazole (CID 165059176) is 1,5-dimethyltetrazole;1,4-dimethyltriazole;1-methyltetrazole;1-methyltriazole.
What is the SMILES notation for 1,5-dimethyltetrazole;1,4-dimethyltriazole;1-methyltetrazole;1-methyltriazole?
The canonical SMILES for 1,5-dimethyltetrazole;1,4-dimethyltriazole;1-methyltetrazole;1-methyltriazole is Cc1cn(C)nn1.Cc1nnnn1C.Cn1ccnn1.Cn1cnnn1.
What is the InChIKey of 1,5-dimethyltetrazole;1,4-dimethyltriazole;1-methyltetrazole;1-methyltriazole?
The InChIKey is QXOPRKDFUXPGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3.C3H6N4.C3H5N3.C2H4N4/c1-4-3-7(2)6-5-4;1-3-4-5-6-7(3)2;1-6-3-2-4-5-6;1-6-2-3-4-5-6/h3H,1-2H3;1-2H3;2-3H,1H3;2H,1H3.
What are the key properties of 1,5-dimethyltetrazole;1,4-dimethyltriazole;1-methyltetrazole;1-methyltriazole?
1,5-dimethyltetrazole;1,4-dimethyltriazole;1-methyltetrazole;1-methyltriazole has a molecular weight of 362.41 g/mol, XLogP of -1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyltetrazole;1,4-dimethyltriazole;1-methyltetrazole;1-methyltriazole is sourced from PubChem (CID 165059176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).