1-[(2-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine

C6H9N7 — CID 79529104

IUPAC1-[(2-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine
SMILESCn1ncnc1Cn1cc(N)nn1
InChIInChI=1S/C6H9N7/c1-12-6(8-4-9-12)3-13-2-5(7)10-11-13/h2,4H,3,7H2,1H3
InChIKeyWAFYMOSAEIBQCI-UHFFFAOYSA-N
MW179.19 g/mol
LogP-0.96
Rot. Bonds2

About 1-[(2-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine

1-[(2-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine (PubChem CID 79529104) has the molecular formula C6H9N7 and a molecular weight of 179.19 g/mol. Its IUPAC name is 1-[(2-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine.

Molecular Properties

Compound Name1-[(2-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine
PubChem CID79529104
Molecular FormulaC6H9N7
Molecular Weight179.19 g/mol
Exact Mass179.09
IUPAC Name1-[(2-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine
SMILESCn1ncnc1Cn1cc(N)nn1
InChIInChI=1S/C6H9N7/c1-12-6(8-4-9-12)3-13-2-5(7)10-11-13/h2,4H,3,7H2,1H3
InChIKeyWAFYMOSAEIBQCI-UHFFFAOYSA-N
XLogP-0.96
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-[4-(3-Methyl-1,2,4-triazol-1-yl)butyl]triazol-4-yl]-2-(2,2,3,3-tetrafluoropropyl)guanidine
CID 88693190
4-Imidazol-1-yl-1,2,4-triazole
CID 139111278
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]triazol-4-amine
CID 79529608
5-[(3-methylimidazol-3-ium-1-yl)methyl]-1H-1,2,4-triazole chloride
CID 9990366
3-[(3-Methylimidazol-3-ium-1-yl)methyl]-1,2-diaza-4-azanidacyclopenta-2,5-diene
CID 10261409
3,4-Dimethyl-5-(1-methylimidazol-2-yl)-1,2,4-triazole
CID 18726635
3-Imidazol-1-yl-4,5-dimethyl-1,2,4-triazole
CID 18726719
5-methyl-3-(1-methylimidazol-2-yl)-1H-1,2,4-triazole
CID 53631164
1,2-Dimethylimidazo[1,5-b][1,2,4]triazole
CID 53842233
5-Methyl-1-(triazol-1-yl)-1,2,4-triazole
CID 54482159
Imidazo[1,2-b][1,2,4]triazole-1,6-diamine
CID 55284639
1-Hydroxyimidazo[1,2-b][1,2,4]triazol-6-amine
CID 55284916

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine?
The IUPAC name of 1-[(2-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine (CID 79529104) is 1-[(2-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine.
What is the SMILES notation for 1-[(2-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine?
The canonical SMILES for 1-[(2-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine is Cn1ncnc1Cn1cc(N)nn1.
What is the InChIKey of 1-[(2-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine?
The InChIKey is WAFYMOSAEIBQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N7/c1-12-6(8-4-9-12)3-13-2-5(7)10-11-13/h2,4H,3,7H2,1H3.
What are the key properties of 1-[(2-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine?
1-[(2-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine has a molecular weight of 179.19 g/mol, XLogP of -0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine is sourced from PubChem (CID 79529104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).