N-pentyl-1,2,4-triazol-1-amine

C7H14N4 — CID 68541110

IUPACN-pentyl-1,2,4-triazol-1-amine
SMILESCCCCCNn1cncn1
InChIInChI=1S/C7H14N4/c1-2-3-4-5-9-11-7-8-6-10-11/h6-7,9H,2-5H2,1H3
InChIKeyFFKZMOYCZRCFMM-UHFFFAOYSA-N
MW154.22 g/mol
LogP1.01
Rot. Bonds5

About N-pentyl-1,2,4-triazol-1-amine

N-pentyl-1,2,4-triazol-1-amine (PubChem CID 68541110) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is N-pentyl-1,2,4-triazol-1-amine.

Molecular Properties

Compound NameN-pentyl-1,2,4-triazol-1-amine
PubChem CID68541110
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC NameN-pentyl-1,2,4-triazol-1-amine
SMILESCCCCCNn1cncn1
InChIInChI=1S/C7H14N4/c1-2-3-4-5-9-11-7-8-6-10-11/h6-7,9H,2-5H2,1H3
InChIKeyFFKZMOYCZRCFMM-UHFFFAOYSA-N
XLogP1.01
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1,2,4-triazol-4-amine
CID 3284710
N-propan-2-yl-1,2,4-triazol-4-amine
CID 3352461
N-Isobutyl-4H-1,2,4-triazol-4-amine
CID 3539625
4H-1,2,4-Triazol-4-amine, N-cyclohexyl-
CID 3613874
5-(1h-1,2,4-Triazol-1-yl)pentan-1-amine
CID 13687316
N-butyl-4H-1,2,4-triazol-4-amine
CID 14117888
N-propyl-1,2,4-triazol-4-amine
CID 15397097
N-pentyl-1,2,4-triazol-4-amine
CID 15397098
N-ethyl-1,2,4-triazol-1-amine
CID 19994970
butan-1-amine;1H-1,2,4-triazole
CID 22361871
N-tert-butyl-1,2,4-triazol-4-amine
CID 59467481
N-pentyl-1H-1,2,4-triazol-5-amine
CID 68541108

Frequently Asked Questions

What is the IUPAC name of N-pentyl-1,2,4-triazol-1-amine?
The IUPAC name of N-pentyl-1,2,4-triazol-1-amine (CID 68541110) is N-pentyl-1,2,4-triazol-1-amine.
What is the SMILES notation for N-pentyl-1,2,4-triazol-1-amine?
The canonical SMILES for N-pentyl-1,2,4-triazol-1-amine is CCCCCNn1cncn1.
What is the InChIKey of N-pentyl-1,2,4-triazol-1-amine?
The InChIKey is FFKZMOYCZRCFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-2-3-4-5-9-11-7-8-6-10-11/h6-7,9H,2-5H2,1H3.
What are the key properties of N-pentyl-1,2,4-triazol-1-amine?
N-pentyl-1,2,4-triazol-1-amine has a molecular weight of 154.22 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-1,2,4-triazol-1-amine is sourced from PubChem (CID 68541110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).