N-methyl-2-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine

C9H16N4 — CID 127004734

IUPACN-methyl-2-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine
SMILESCNC1CCCC1c1nncn1C
InChIInChI=1S/C9H16N4/c1-10-8-5-3-4-7(8)9-12-11-6-13(9)2/h6-8,10H,3-5H2,1-2H3
InChIKeyIHRANZGESASFHF-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.67
Rot. Bonds2

About N-methyl-2-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine

N-methyl-2-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine (PubChem CID 127004734) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is N-methyl-2-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine
PubChem CID127004734
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC NameN-methyl-2-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine
SMILESCNC1CCCC1c1nncn1C
InChIInChI=1S/C9H16N4/c1-10-8-5-3-4-7(8)9-12-11-6-13(9)2/h6-8,10H,3-5H2,1-2H3
InChIKeyIHRANZGESASFHF-UHFFFAOYSA-N
XLogP0.67
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine?
The IUPAC name of N-methyl-2-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine (CID 127004734) is N-methyl-2-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine.
What is the SMILES notation for N-methyl-2-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine?
The canonical SMILES for N-methyl-2-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine is CNC1CCCC1c1nncn1C.
What is the InChIKey of N-methyl-2-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine?
The InChIKey is IHRANZGESASFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-10-8-5-3-4-7(8)9-12-11-6-13(9)2/h6-8,10H,3-5H2,1-2H3.
What are the key properties of N-methyl-2-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine?
N-methyl-2-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine has a molecular weight of 180.25 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine is sourced from PubChem (CID 127004734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).