1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-methyltriazol-4-amine

C8H13N7 — CID 79542124

IUPAC1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-methyltriazol-4-amine
SMILESCc1c(N)nnn1Cc1nnc(C)n1C
InChIInChI=1S/C8H13N7/c1-5-8(9)12-13-15(5)4-7-11-10-6(2)14(7)3/h4,9H2,1-3H3
InChIKeyUSSDBXHVGRHYIE-UHFFFAOYSA-N
MW207.24 g/mol
LogP-0.35
Rot. Bonds2

About 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-methyltriazol-4-amine

1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-methyltriazol-4-amine (PubChem CID 79542124) has the molecular formula C8H13N7 and a molecular weight of 207.24 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-methyltriazol-4-amine.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-methyltriazol-4-amine
PubChem CID79542124
Molecular FormulaC8H13N7
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC Name1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-methyltriazol-4-amine
SMILESCc1c(N)nnn1Cc1nnc(C)n1C
InChIInChI=1S/C8H13N7/c1-5-8(9)12-13-15(5)4-7-11-10-6(2)14(7)3/h4,9H2,1-3H3
InChIKeyUSSDBXHVGRHYIE-UHFFFAOYSA-N
XLogP-0.35
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-methyltriazol-4-amine?
The IUPAC name of 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-methyltriazol-4-amine (CID 79542124) is 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-methyltriazol-4-amine.
What is the SMILES notation for 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-methyltriazol-4-amine?
The canonical SMILES for 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-methyltriazol-4-amine is Cc1c(N)nnn1Cc1nnc(C)n1C.
What is the InChIKey of 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-methyltriazol-4-amine?
The InChIKey is USSDBXHVGRHYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N7/c1-5-8(9)12-13-15(5)4-7-11-10-6(2)14(7)3/h4,9H2,1-3H3.
What are the key properties of 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-methyltriazol-4-amine?
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-methyltriazol-4-amine has a molecular weight of 207.24 g/mol, XLogP of -0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-methyltriazol-4-amine is sourced from PubChem (CID 79542124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).