N-pentyl-1H-1,2,4-triazol-5-amine

C7H14N4 — CID 68541108

IUPACN-pentyl-1H-1,2,4-triazol-5-amine
SMILESCCCCCNc1ncn[nH]1
InChIInChI=1S/C7H14N4/c1-2-3-4-5-8-7-9-6-10-11-7/h6H,2-5H2,1H3,(H2,8,9,10,11)
InChIKeyKEDKJBNDKNABKW-UHFFFAOYSA-N
MW154.22 g/mol
LogP1.41
Rot. Bonds5

About N-pentyl-1H-1,2,4-triazol-5-amine

N-pentyl-1H-1,2,4-triazol-5-amine (PubChem CID 68541108) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is N-pentyl-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound NameN-pentyl-1H-1,2,4-triazol-5-amine
PubChem CID68541108
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC NameN-pentyl-1H-1,2,4-triazol-5-amine
SMILESCCCCCNc1ncn[nH]1
InChIInChI=1S/C7H14N4/c1-2-3-4-5-8-7-9-6-10-11-7/h6H,2-5H2,1H3,(H2,8,9,10,11)
InChIKeyKEDKJBNDKNABKW-UHFFFAOYSA-N
XLogP1.41
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-Dihydro-2H-pyrrol-5-yl)-4H-1,2,4-triazol-3-amine
CID 2123122
1-Butyl-3-(1h-1,2,4-triazol-5-yl)urea
CID 282308
N-[(2S)-pyrrolidin-2-yl]-1H-1,2,4-triazol-5-amine
CID 145994375
1-ethyl-1-(1H-1,2,4-triazol-5-yl)hydrazine
CID 72950781
4-Amino-5-tetradecylamino-4H-1,2,4-triazol-1-ium chloride
CID 139049319
3-N-(5,5,5-trifluoropentyl)-1H-1,2,4-triazole-3,5-diamine
CID 115522981
3-N-octyl-1H-1,2,4-triazole-3,5-diamine
CID 21858051
1-butyl-3-(1H-1,2,4-triazol-5-yl)thiourea
CID 5382281
N3-Propyl-1H-1,2,4-triazole-3,5-diamine
CID 11298014
5-(1h-1,2,4-Triazol-1-yl)pentan-1-amine
CID 13687316
N-pentyl-1,2,4-triazol-4-amine
CID 15397098
N-propyl-1H-1,2,4-triazol-5-amine;hydrochloride
CID 17934834

Frequently Asked Questions

What is the IUPAC name of N-pentyl-1H-1,2,4-triazol-5-amine?
The IUPAC name of N-pentyl-1H-1,2,4-triazol-5-amine (CID 68541108) is N-pentyl-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for N-pentyl-1H-1,2,4-triazol-5-amine?
The canonical SMILES for N-pentyl-1H-1,2,4-triazol-5-amine is CCCCCNc1ncn[nH]1.
What is the InChIKey of N-pentyl-1H-1,2,4-triazol-5-amine?
The InChIKey is KEDKJBNDKNABKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-2-3-4-5-8-7-9-6-10-11-7/h6H,2-5H2,1H3,(H2,8,9,10,11).
What are the key properties of N-pentyl-1H-1,2,4-triazol-5-amine?
N-pentyl-1H-1,2,4-triazol-5-amine has a molecular weight of 154.22 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 68541108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).