N-methyl-1-(1-pentyltriazol-4-yl)methanamine

C9H18N4 — CID 66191919

IUPACN-methyl-1-(1-pentyltriazol-4-yl)methanamine
SMILESCCCCCn1cc(CNC)nn1
InChIInChI=1S/C9H18N4/c1-3-4-5-6-13-8-9(7-10-2)11-12-13/h8,10H,3-7H2,1-2H3
InChIKeyGSCLRMLWQCWGOX-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.19
Rot. Bonds6

About N-methyl-1-(1-pentyltriazol-4-yl)methanamine

N-methyl-1-(1-pentyltriazol-4-yl)methanamine (PubChem CID 66191919) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is N-methyl-1-(1-pentyltriazol-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-pentyltriazol-4-yl)methanamine
PubChem CID66191919
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC NameN-methyl-1-(1-pentyltriazol-4-yl)methanamine
SMILESCCCCCn1cc(CNC)nn1
InChIInChI=1S/C9H18N4/c1-3-4-5-6-13-8-9(7-10-2)11-12-13/h8,10H,3-7H2,1-2H3
InChIKeyGSCLRMLWQCWGOX-UHFFFAOYSA-N
XLogP1.19
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.19
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-pentyltriazol-4-yl)methanamine?
The IUPAC name of N-methyl-1-(1-pentyltriazol-4-yl)methanamine (CID 66191919) is N-methyl-1-(1-pentyltriazol-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-(1-pentyltriazol-4-yl)methanamine?
The canonical SMILES for N-methyl-1-(1-pentyltriazol-4-yl)methanamine is CCCCCn1cc(CNC)nn1.
What is the InChIKey of N-methyl-1-(1-pentyltriazol-4-yl)methanamine?
The InChIKey is GSCLRMLWQCWGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-3-4-5-6-13-8-9(7-10-2)11-12-13/h8,10H,3-7H2,1-2H3.
What are the key properties of N-methyl-1-(1-pentyltriazol-4-yl)methanamine?
N-methyl-1-(1-pentyltriazol-4-yl)methanamine has a molecular weight of 182.27 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-pentyltriazol-4-yl)methanamine is sourced from PubChem (CID 66191919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).