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

C8H13N7 — CID 79531089

IUPAC1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine
SMILESCCCn1ncnc1Cn1cc(N)nn1
InChIInChI=1S/C8H13N7/c1-2-3-15-8(10-6-11-15)5-14-4-7(9)12-13-14/h4,6H,2-3,5,9H2,1H3
InChIKeyNRZKMUQEPZJQIQ-UHFFFAOYSA-N
MW207.24 g/mol
LogP-0.09
Rot. Bonds4

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

1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine (PubChem CID 79531089) has the molecular formula C8H13N7 and a molecular weight of 207.24 g/mol. Its IUPAC name is 1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine.

Molecular Properties

Compound Name1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine
PubChem CID79531089
Molecular FormulaC8H13N7
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC Name1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine
SMILESCCCn1ncnc1Cn1cc(N)nn1
InChIInChI=1S/C8H13N7/c1-2-3-15-8(10-6-11-15)5-14-4-7(9)12-13-14/h4,6H,2-3,5,9H2,1H3
InChIKeyNRZKMUQEPZJQIQ-UHFFFAOYSA-N
XLogP-0.09
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine?
The IUPAC name of 1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine (CID 79531089) is 1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine.
What is the SMILES notation for 1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine?
The canonical SMILES for 1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine is CCCn1ncnc1Cn1cc(N)nn1.
What is the InChIKey of 1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine?
The InChIKey is NRZKMUQEPZJQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N7/c1-2-3-15-8(10-6-11-15)5-14-4-7(9)12-13-14/h4,6H,2-3,5,9H2,1H3.
What are the key properties of 1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine?
1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine has a molecular weight of 207.24 g/mol, XLogP of -0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine is sourced from PubChem (CID 79531089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).