5-(1-aminopropyl)-N,4-dimethyl-1,2,4-triazol-3-amine

C7H15N5 — CID 112597041

IUPAC5-(1-aminopropyl)-N,4-dimethyl-1,2,4-triazol-3-amine
SMILESCCC(N)c1nnc(NC)n1C
InChIInChI=1S/C7H15N5/c1-4-5(8)6-10-11-7(9-2)12(6)3/h5H,4,8H2,1-3H3,(H,9,11)
InChIKeyLMEBBVDJBXTMET-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.27
Rot. Bonds3

About 5-(1-aminopropyl)-N,4-dimethyl-1,2,4-triazol-3-amine

5-(1-aminopropyl)-N,4-dimethyl-1,2,4-triazol-3-amine (PubChem CID 112597041) has the molecular formula C7H15N5 and a molecular weight of 169.23 g/mol. Its IUPAC name is 5-(1-aminopropyl)-N,4-dimethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(1-aminopropyl)-N,4-dimethyl-1,2,4-triazol-3-amine
PubChem CID112597041
Molecular FormulaC7H15N5
Molecular Weight169.23 g/mol
Exact Mass169.13
IUPAC Name5-(1-aminopropyl)-N,4-dimethyl-1,2,4-triazol-3-amine
SMILESCCC(N)c1nnc(NC)n1C
InChIInChI=1S/C7H15N5/c1-4-5(8)6-10-11-7(9-2)12(6)3/h5H,4,8H2,1-3H3,(H,9,11)
InChIKeyLMEBBVDJBXTMET-UHFFFAOYSA-N
XLogP0.27
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-aminopropyl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(1-aminopropyl)-N,4-dimethyl-1,2,4-triazol-3-amine (CID 112597041) is 5-(1-aminopropyl)-N,4-dimethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(1-aminopropyl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(1-aminopropyl)-N,4-dimethyl-1,2,4-triazol-3-amine is CCC(N)c1nnc(NC)n1C.
What is the InChIKey of 5-(1-aminopropyl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The InChIKey is LMEBBVDJBXTMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5/c1-4-5(8)6-10-11-7(9-2)12(6)3/h5H,4,8H2,1-3H3,(H,9,11).
What are the key properties of 5-(1-aminopropyl)-N,4-dimethyl-1,2,4-triazol-3-amine?
5-(1-aminopropyl)-N,4-dimethyl-1,2,4-triazol-3-amine has a molecular weight of 169.23 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminopropyl)-N,4-dimethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 112597041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).