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

C10H17N7 — CID 79543356

IUPAC1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-propyltriazol-4-amine
SMILESCCCc1c(N)nnn1Cc1nnc(C)n1C
InChIInChI=1S/C10H17N7/c1-4-5-8-10(11)14-15-17(8)6-9-13-12-7(2)16(9)3/h4-6,11H2,1-3H3
InChIKeyHUDSLWUOVXWLEA-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.30
Rot. Bonds4

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

1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-propyltriazol-4-amine (PubChem CID 79543356) has the molecular formula C10H17N7 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-propyltriazol-4-amine.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-propyltriazol-4-amine
PubChem CID79543356
Molecular FormulaC10H17N7
Molecular Weight235.29 g/mol
Exact Mass235.15
IUPAC Name1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-propyltriazol-4-amine
SMILESCCCc1c(N)nnn1Cc1nnc(C)n1C
InChIInChI=1S/C10H17N7/c1-4-5-8-10(11)14-15-17(8)6-9-13-12-7(2)16(9)3/h4-6,11H2,1-3H3
InChIKeyHUDSLWUOVXWLEA-UHFFFAOYSA-N
XLogP0.30
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.30
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-propyltriazol-4-amine?
The IUPAC name of 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-propyltriazol-4-amine (CID 79543356) is 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-propyltriazol-4-amine.
What is the SMILES notation for 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-propyltriazol-4-amine?
The canonical SMILES for 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-propyltriazol-4-amine is CCCc1c(N)nnn1Cc1nnc(C)n1C.
What is the InChIKey of 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-propyltriazol-4-amine?
The InChIKey is HUDSLWUOVXWLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N7/c1-4-5-8-10(11)14-15-17(8)6-9-13-12-7(2)16(9)3/h4-6,11H2,1-3H3.
What are the key properties of 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-propyltriazol-4-amine?
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-propyltriazol-4-amine has a molecular weight of 235.29 g/mol, XLogP of 0.30, 4 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-propyltriazol-4-amine is sourced from PubChem (CID 79543356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).