N-(2H-triazol-4-ylmethyl)pentan-1-amine

C8H16N4 — CID 160908903

IUPACN-(2H-triazol-4-ylmethyl)pentan-1-amine
SMILESCCCCCNCc1cn[nH]n1
InChIInChI=1S/C8H16N4/c1-2-3-4-5-9-6-8-7-10-12-11-8/h7,9H,2-6H2,1H3,(H,10,11,12)
InChIKeySQMZHLANCNDKRF-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.08
Rot. Bonds6

About N-(2H-triazol-4-ylmethyl)pentan-1-amine

N-(2H-triazol-4-ylmethyl)pentan-1-amine (PubChem CID 160908903) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is N-(2H-triazol-4-ylmethyl)pentan-1-amine.

Molecular Properties

Compound NameN-(2H-triazol-4-ylmethyl)pentan-1-amine
PubChem CID160908903
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC NameN-(2H-triazol-4-ylmethyl)pentan-1-amine
SMILESCCCCCNCc1cn[nH]n1
InChIInChI=1S/C8H16N4/c1-2-3-4-5-9-6-8-7-10-12-11-8/h7,9H,2-6H2,1H3,(H,10,11,12)
InChIKeySQMZHLANCNDKRF-UHFFFAOYSA-N
XLogP1.08
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.08
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

methyl[(1H-1,2,3-triazol-5-yl)methyl]amine
CID 53800752
methyl((1H-1,2,3-triazol-4-yl)methyl)amine hydrochloride
CID 119106308
3-methyl-1-((1H-1,2,3-triazol-5-yl)methyl)pyrrolidin-3-amine dihydrochloride
CID 155978109
N,N-dimethyl-1-(2H-triazol-4-yl)methanamine
CID 54206485
N-[(3-ethyltriazol-4-yl)methyl]cyclohexanamine
CID 126815328
trans-(1S,2S)-2-fluoro-N-[(3-methyltriazol-4-yl)methyl]cyclohexan-1-amine
CID 164642380
4,4,4-trifluoro-N-(2H-triazol-4-ylmethyl)butan-1-amine
CID 141530376
Allyl-(triazolylmethyl)amine
CID 129873951
2,2,2-trifluoro-N-(2H-triazol-4-ylmethyl)ethanamine
CID 61318528
2,2-difluoro-N-(2H-triazol-4-ylmethyl)ethanamine
CID 115406987
5,5,5-trifluoro-N-[(3-methyltriazol-4-yl)methyl]pentan-1-amine
CID 115757859
trans-(1R,2R)-2-fluoro-N-[(3-methyltriazol-4-yl)methyl]cyclohexan-1-amine
CID 126795318

Frequently Asked Questions

What is the IUPAC name of N-(2H-triazol-4-ylmethyl)pentan-1-amine?
The IUPAC name of N-(2H-triazol-4-ylmethyl)pentan-1-amine (CID 160908903) is N-(2H-triazol-4-ylmethyl)pentan-1-amine.
What is the SMILES notation for N-(2H-triazol-4-ylmethyl)pentan-1-amine?
The canonical SMILES for N-(2H-triazol-4-ylmethyl)pentan-1-amine is CCCCCNCc1cn[nH]n1.
What is the InChIKey of N-(2H-triazol-4-ylmethyl)pentan-1-amine?
The InChIKey is SQMZHLANCNDKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-2-3-4-5-9-6-8-7-10-12-11-8/h7,9H,2-6H2,1H3,(H,10,11,12).
What are the key properties of N-(2H-triazol-4-ylmethyl)pentan-1-amine?
N-(2H-triazol-4-ylmethyl)pentan-1-amine has a molecular weight of 168.24 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-triazol-4-ylmethyl)pentan-1-amine is sourced from PubChem (CID 160908903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).