(5-hexyl-4-methyl-1,2,4-triazol-3-yl)methanamine

C10H20N4 — CID 114754387

IUPAC(5-hexyl-4-methyl-1,2,4-triazol-3-yl)methanamine
SMILESCCCCCCc1nnc(CN)n1C
InChIInChI=1S/C10H20N4/c1-3-4-5-6-7-9-12-13-10(8-11)14(9)2/h3-8,11H2,1-2H3
InChIKeyQANAMQMLWLUGSR-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.40
Rot. Bonds6

About (5-hexyl-4-methyl-1,2,4-triazol-3-yl)methanamine

(5-hexyl-4-methyl-1,2,4-triazol-3-yl)methanamine (PubChem CID 114754387) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is (5-hexyl-4-methyl-1,2,4-triazol-3-yl)methanamine.

Molecular Properties

Compound Name(5-hexyl-4-methyl-1,2,4-triazol-3-yl)methanamine
PubChem CID114754387
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name(5-hexyl-4-methyl-1,2,4-triazol-3-yl)methanamine
SMILESCCCCCCc1nnc(CN)n1C
InChIInChI=1S/C10H20N4/c1-3-4-5-6-7-9-12-13-10(8-11)14(9)2/h3-8,11H2,1-2H3
InChIKeyQANAMQMLWLUGSR-UHFFFAOYSA-N
XLogP1.40
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 51.40
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

(5-octyl-4-propan-2-yl-1,2,4-triazol-3-yl)methanamine
CID 112593090
(5-heptyl-4-propan-2-yl-1,2,4-triazol-3-yl)methanamine
CID 112592993
(3,5-didecyl-1,2,4-triazol-4-yl)methanamine
CID 126601324
3,4-dimethyl-5-pentyl-1,2,4-triazole
CID 91086402
(4-cyclopropyl-5-nonyl-1,2,4-triazol-3-yl)methanamine
CID 112593130
(3,5-dipentyl-1,2,4-triazol-4-yl)methanamine
CID 126601317
[4-(2-methoxyethyl)-5-pentyl-1,2,4-triazol-3-yl]methanamine
CID 112592767
[4-(2-methylpropyl)-5-pentyl-1,2,4-triazol-3-yl]methanamine
CID 112594055
(5-butyl-4-ethyl-1,2,4-triazol-3-yl)methanamine
CID 112593519
5-heptyl-1,2,4-triazole-3,4-diamine
CID 79006366
5-undecyl-1,2,4-triazole-3,4-diamine
CID 574678
5-chloro-2-heptyl-3-methylimidazol-4-ol
CID 70398269

Frequently Asked Questions

What is the IUPAC name of (5-hexyl-4-methyl-1,2,4-triazol-3-yl)methanamine?
The IUPAC name of (5-hexyl-4-methyl-1,2,4-triazol-3-yl)methanamine (CID 114754387) is (5-hexyl-4-methyl-1,2,4-triazol-3-yl)methanamine.
What is the SMILES notation for (5-hexyl-4-methyl-1,2,4-triazol-3-yl)methanamine?
The canonical SMILES for (5-hexyl-4-methyl-1,2,4-triazol-3-yl)methanamine is CCCCCCc1nnc(CN)n1C.
What is the InChIKey of (5-hexyl-4-methyl-1,2,4-triazol-3-yl)methanamine?
The InChIKey is QANAMQMLWLUGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-3-4-5-6-7-9-12-13-10(8-11)14(9)2/h3-8,11H2,1-2H3.
What are the key properties of (5-hexyl-4-methyl-1,2,4-triazol-3-yl)methanamine?
(5-hexyl-4-methyl-1,2,4-triazol-3-yl)methanamine has a molecular weight of 196.30 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hexyl-4-methyl-1,2,4-triazol-3-yl)methanamine is sourced from PubChem (CID 114754387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).