1,4-dimethyltriazole;3,4-dimethyl-1,2,4-triazole;1-methyltetrazole;1-methyltriazole

C13H23N13 — CID 165004783

IUPAC1,4-dimethyltriazole;3,4-dimethyl-1,2,4-triazole;1-methyltetrazole;1-methyltriazole
SMILESCc1cn(C)nn1.Cc1nncn1C.Cn1ccnn1.Cn1cnnn1
InChIInChI=1S/2C4H7N3.C3H5N3.C2H4N4/c1-4-6-5-3-7(4)2;1-4-3-7(2)6-5-4;1-6-3-2-4-5-6;1-6-2-3-4-5-6/h2*3H,1-2H3;2-3H,1H3;2H,1H3
InChIKeyIUHMLIKGBACSLN-UHFFFAOYSA-N
MW361.42 g/mol
LogP-0.73
Rot. Bonds

About 1,4-dimethyltriazole;3,4-dimethyl-1,2,4-triazole;1-methyltetrazole;1-methyltriazole

1,4-dimethyltriazole;3,4-dimethyl-1,2,4-triazole;1-methyltetrazole;1-methyltriazole (PubChem CID 165004783) has the molecular formula C13H23N13 and a molecular weight of 361.42 g/mol. Its IUPAC name is 1,4-dimethyltriazole;3,4-dimethyl-1,2,4-triazole;1-methyltetrazole;1-methyltriazole.

Molecular Properties

Compound Name1,4-dimethyltriazole;3,4-dimethyl-1,2,4-triazole;1-methyltetrazole;1-methyltriazole
PubChem CID165004783
Molecular FormulaC13H23N13
Molecular Weight361.42 g/mol
Exact Mass361.22
IUPAC Name1,4-dimethyltriazole;3,4-dimethyl-1,2,4-triazole;1-methyltetrazole;1-methyltriazole
SMILESCc1cn(C)nn1.Cc1nncn1C.Cn1ccnn1.Cn1cnnn1
InChIInChI=1S/2C4H7N3.C3H5N3.C2H4N4/c1-4-6-5-3-7(4)2;1-4-3-7(2)6-5-4;1-6-3-2-4-5-6;1-6-2-3-4-5-6/h2*3H,1-2H3;2-3H,1H3;2H,1H3
InChIKeyIUHMLIKGBACSLN-UHFFFAOYSA-N
XLogP-0.73
TPSA135.73 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.42
LogP ≤ 5-0.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

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Related Compounds

1,5-dimethyltetrazole;1,4-dimethyltriazole;1-methyltetrazole;1-methyltriazole
CID 165059176
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
1,4-dimethyltriazole;1,4-dimethyl-4H-triazol-1-ium
CID 162078947
1,4-dimethyltriazole;methyl 2-(4-methyltriazol-1-yl)acetate
CID 157331697
4-methyl-3-(2,3,4,5,6-pentafluorophenyl)-1,2,4-triazole
CID 115395285
ethane;4-ethyl-1-methyltriazole
CID 143593274
5-methyl-1-[(1-methyltriazol-4-yl)methyl]tetrazole
CID 130616524
1-methyltetrazole;5-nitro-2H-tetrazole
CID 146465693
1-(4-methyltriazol-1-yl)ethanone
CID 119096452

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyltriazole;3,4-dimethyl-1,2,4-triazole;1-methyltetrazole;1-methyltriazole?
The IUPAC name of 1,4-dimethyltriazole;3,4-dimethyl-1,2,4-triazole;1-methyltetrazole;1-methyltriazole (CID 165004783) is 1,4-dimethyltriazole;3,4-dimethyl-1,2,4-triazole;1-methyltetrazole;1-methyltriazole.
What is the SMILES notation for 1,4-dimethyltriazole;3,4-dimethyl-1,2,4-triazole;1-methyltetrazole;1-methyltriazole?
The canonical SMILES for 1,4-dimethyltriazole;3,4-dimethyl-1,2,4-triazole;1-methyltetrazole;1-methyltriazole is Cc1cn(C)nn1.Cc1nncn1C.Cn1ccnn1.Cn1cnnn1.
What is the InChIKey of 1,4-dimethyltriazole;3,4-dimethyl-1,2,4-triazole;1-methyltetrazole;1-methyltriazole?
The InChIKey is IUHMLIKGBACSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H7N3.C3H5N3.C2H4N4/c1-4-6-5-3-7(4)2;1-4-3-7(2)6-5-4;1-6-3-2-4-5-6;1-6-2-3-4-5-6/h2*3H,1-2H3;2-3H,1H3;2H,1H3.
What are the key properties of 1,4-dimethyltriazole;3,4-dimethyl-1,2,4-triazole;1-methyltetrazole;1-methyltriazole?
1,4-dimethyltriazole;3,4-dimethyl-1,2,4-triazole;1-methyltetrazole;1-methyltriazole has a molecular weight of 361.42 g/mol, XLogP of -0.73, 0 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyltriazole;3,4-dimethyl-1,2,4-triazole;1-methyltetrazole;1-methyltriazole is sourced from PubChem (CID 165004783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).