N-propyl-1-(1,2,4-triazol-1-yl)pentan-2-amine

C10H20N4 — CID 62041669

IUPACN-propyl-1-(1,2,4-triazol-1-yl)pentan-2-amine
SMILESCCCNC(CCC)Cn1cncn1
InChIInChI=1S/C10H20N4/c1-3-5-10(12-6-4-2)7-14-9-11-8-13-14/h8-10,12H,3-7H2,1-2H3
InChIKeyKVMNLDZXBXVRQL-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.45
Rot. Bonds7

About N-propyl-1-(1,2,4-triazol-1-yl)pentan-2-amine

N-propyl-1-(1,2,4-triazol-1-yl)pentan-2-amine (PubChem CID 62041669) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is N-propyl-1-(1,2,4-triazol-1-yl)pentan-2-amine.

Molecular Properties

Compound NameN-propyl-1-(1,2,4-triazol-1-yl)pentan-2-amine
PubChem CID62041669
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC NameN-propyl-1-(1,2,4-triazol-1-yl)pentan-2-amine
SMILESCCCNC(CCC)Cn1cncn1
InChIInChI=1S/C10H20N4/c1-3-5-10(12-6-4-2)7-14-9-11-8-13-14/h8-10,12H,3-7H2,1-2H3
InChIKeyKVMNLDZXBXVRQL-UHFFFAOYSA-N
XLogP1.45
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(bromomethyl)pentyl]-1,2,4-triazole
CID 65011142
3-[2-(propylamino)pentyl]pyrimidin-4-one
CID 63769697
1-(2,3-dimethylheptyl)-1,2,4-triazole
CID 126695073
1-(2-ethylhexyl)-1,2,4-triazole
CID 63811004
1-[(2S)-2-methylbutyl]-1,2,4-triazole
CID 89197135
(2S)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 59990743
1-ethyl-3-[2-(propylamino)pentyl]imidazol-2-one
CID 80580297
N-[4-(1,2,4-triazol-1-yl)butan-2-yl]hexan-1-amine
CID 115705346
1-(2-methylimidazol-1-yl)-N-propylpentan-2-amine
CID 62042314
N-[2-(1,2,4-triazol-1-yl)ethyl]butan-2-amine
CID 62562960
5-methyl-2-[2-(propylamino)pentyl]pyridazin-3-one
CID 106548521
2-(cyclopropylamino)-3-(1,2,4-triazol-1-yl)propan-1-ol
CID 64809235

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(1,2,4-triazol-1-yl)pentan-2-amine?
The IUPAC name of N-propyl-1-(1,2,4-triazol-1-yl)pentan-2-amine (CID 62041669) is N-propyl-1-(1,2,4-triazol-1-yl)pentan-2-amine.
What is the SMILES notation for N-propyl-1-(1,2,4-triazol-1-yl)pentan-2-amine?
The canonical SMILES for N-propyl-1-(1,2,4-triazol-1-yl)pentan-2-amine is CCCNC(CCC)Cn1cncn1.
What is the InChIKey of N-propyl-1-(1,2,4-triazol-1-yl)pentan-2-amine?
The InChIKey is KVMNLDZXBXVRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-3-5-10(12-6-4-2)7-14-9-11-8-13-14/h8-10,12H,3-7H2,1-2H3.
What are the key properties of N-propyl-1-(1,2,4-triazol-1-yl)pentan-2-amine?
N-propyl-1-(1,2,4-triazol-1-yl)pentan-2-amine has a molecular weight of 196.30 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(1,2,4-triazol-1-yl)pentan-2-amine is sourced from PubChem (CID 62041669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).