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

C9H19N5 — CID 112597131

IUPAC5-(2-aminopentyl)-N,4-dimethyl-1,2,4-triazol-3-amine
SMILESCCCC(N)Cc1nnc(NC)n1C
InChIInChI=1S/C9H19N5/c1-4-5-7(10)6-8-12-13-9(11-2)14(8)3/h7H,4-6,10H2,1-3H3,(H,11,13)
InChIKeyPCCJZTDMJASQQJ-UHFFFAOYSA-N
MW197.29 g/mol
LogP0.53
Rot. Bonds5

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

5-(2-aminopentyl)-N,4-dimethyl-1,2,4-triazol-3-amine (PubChem CID 112597131) has the molecular formula C9H19N5 and a molecular weight of 197.29 g/mol. Its IUPAC name is 5-(2-aminopentyl)-N,4-dimethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(2-aminopentyl)-N,4-dimethyl-1,2,4-triazol-3-amine
PubChem CID112597131
Molecular FormulaC9H19N5
Molecular Weight197.29 g/mol
Exact Mass197.16
IUPAC Name5-(2-aminopentyl)-N,4-dimethyl-1,2,4-triazol-3-amine
SMILESCCCC(N)Cc1nnc(NC)n1C
InChIInChI=1S/C9H19N5/c1-4-5-7(10)6-8-12-13-9(11-2)14(8)3/h7H,4-6,10H2,1-3H3,(H,11,13)
InChIKeyPCCJZTDMJASQQJ-UHFFFAOYSA-N
XLogP0.53
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.29
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopentyl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(2-aminopentyl)-N,4-dimethyl-1,2,4-triazol-3-amine (CID 112597131) is 5-(2-aminopentyl)-N,4-dimethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(2-aminopentyl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(2-aminopentyl)-N,4-dimethyl-1,2,4-triazol-3-amine is CCCC(N)Cc1nnc(NC)n1C.
What is the InChIKey of 5-(2-aminopentyl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The InChIKey is PCCJZTDMJASQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5/c1-4-5-7(10)6-8-12-13-9(11-2)14(8)3/h7H,4-6,10H2,1-3H3,(H,11,13).
What are the key properties of 5-(2-aminopentyl)-N,4-dimethyl-1,2,4-triazol-3-amine?
5-(2-aminopentyl)-N,4-dimethyl-1,2,4-triazol-3-amine has a molecular weight of 197.29 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopentyl)-N,4-dimethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 112597131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).