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

C8H13N7 — CID 62053950

IUPAC[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methanamine
SMILESCc1nnc(Cn2cc(CN)nn2)n1C
InChIInChI=1S/C8H13N7/c1-6-10-12-8(14(6)2)5-15-4-7(3-9)11-13-15/h4H,3,5,9H2,1-2H3
InChIKeyPMAAATNUOPKEKN-UHFFFAOYSA-N
MW207.24 g/mol
LogP-0.78
Rot. Bonds3

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

[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methanamine (PubChem CID 62053950) 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]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methanamine
PubChem CID62053950
Molecular FormulaC8H13N7
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC Name[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methanamine
SMILESCc1nnc(Cn2cc(CN)nn2)n1C
InChIInChI=1S/C8H13N7/c1-6-10-12-8(14(6)2)5-15-4-7(3-9)11-13-15/h4H,3,5,9H2,1-2H3
InChIKeyPMAAATNUOPKEKN-UHFFFAOYSA-N
XLogP-0.78
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 5-0.78
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]triazol-4-yl]methanamine?
The IUPAC name of [1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methanamine (CID 62053950) is [1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methanamine is Cc1nnc(Cn2cc(CN)nn2)n1C.
What is the InChIKey of [1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methanamine?
The InChIKey is PMAAATNUOPKEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N7/c1-6-10-12-8(14(6)2)5-15-4-7(3-9)11-13-15/h4H,3,5,9H2,1-2H3.
What are the key properties of [1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methanamine?
[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methanamine has a molecular weight of 207.24 g/mol, XLogP of -0.78, 3 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]triazol-4-yl]methanamine is sourced from PubChem (CID 62053950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).