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

C13H26N4 — CID 126601317

IUPAC(3,5-dipentyl-1,2,4-triazol-4-yl)methanamine
SMILESCCCCCc1nnc(CCCCC)n1CN
InChIInChI=1S/C13H26N4/c1-3-5-7-9-12-15-16-13(17(12)11-14)10-8-6-4-2/h3-11,14H2,1-2H3
InChIKeyKDKXGHVKNDOLLZ-UHFFFAOYSA-N
MW238.38 g/mol
LogP2.66
Rot. Bonds9

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

(3,5-dipentyl-1,2,4-triazol-4-yl)methanamine (PubChem CID 126601317) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is (3,5-dipentyl-1,2,4-triazol-4-yl)methanamine.

Molecular Properties

Compound Name(3,5-dipentyl-1,2,4-triazol-4-yl)methanamine
PubChem CID126601317
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name(3,5-dipentyl-1,2,4-triazol-4-yl)methanamine
SMILESCCCCCc1nnc(CCCCC)n1CN
InChIInChI=1S/C13H26N4/c1-3-5-7-9-12-15-16-13(17(12)11-14)10-8-6-4-2/h3-11,14H2,1-2H3
InChIKeyKDKXGHVKNDOLLZ-UHFFFAOYSA-N
XLogP2.66
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 52.66
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

(3,5-didecyl-1,2,4-triazol-4-yl)methanamine
CID 126601324
[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
[4-(2-methoxyethyl)-5-pentyl-1,2,4-triazol-3-yl]methanamine
CID 112592767
3-(chloromethyl)-4-ethyl-5-pentyl-1,2,4-triazole
CID 115398076
(5-hexyl-4-methyl-1,2,4-triazol-3-yl)methanamine
CID 114754387
5-heptyl-1,2,4-triazole-3,4-diamine
CID 79006366
5-undecyl-1,2,4-triazole-3,4-diamine
CID 574678
3-(bromomethyl)-4-ethyl-5-hexyl-1,2,4-triazole
CID 114754363
3-(chloromethyl)-4-ethyl-5-nonyl-1,2,4-triazole
CID 113302063
(5-heptyl-4-propan-2-yl-1,2,4-triazol-3-yl)methanamine
CID 112592993
(5-octyl-4-propan-2-yl-1,2,4-triazol-3-yl)methanamine
CID 112593090

Frequently Asked Questions

What is the IUPAC name of (3,5-dipentyl-1,2,4-triazol-4-yl)methanamine?
The IUPAC name of (3,5-dipentyl-1,2,4-triazol-4-yl)methanamine (CID 126601317) is (3,5-dipentyl-1,2,4-triazol-4-yl)methanamine.
What is the SMILES notation for (3,5-dipentyl-1,2,4-triazol-4-yl)methanamine?
The canonical SMILES for (3,5-dipentyl-1,2,4-triazol-4-yl)methanamine is CCCCCc1nnc(CCCCC)n1CN.
What is the InChIKey of (3,5-dipentyl-1,2,4-triazol-4-yl)methanamine?
The InChIKey is KDKXGHVKNDOLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-3-5-7-9-12-15-16-13(17(12)11-14)10-8-6-4-2/h3-11,14H2,1-2H3.
What are the key properties of (3,5-dipentyl-1,2,4-triazol-4-yl)methanamine?
(3,5-dipentyl-1,2,4-triazol-4-yl)methanamine has a molecular weight of 238.38 g/mol, XLogP of 2.66, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dipentyl-1,2,4-triazol-4-yl)methanamine is sourced from PubChem (CID 126601317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).