N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-2-methylcyclopentan-1-amine

C12H20N4 — CID 115689262

IUPACN-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-2-methylcyclopentan-1-amine
SMILESCC1CCCC1NCc1nncn1C1CC1
InChIInChI=1S/C12H20N4/c1-9-3-2-4-11(9)13-7-12-15-14-8-16(12)10-5-6-10/h8-11,13H,2-7H2,1H3
InChIKeyFOOKZAJEMWYAKV-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.89
Rot. Bonds4

About N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-2-methylcyclopentan-1-amine

N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-2-methylcyclopentan-1-amine (PubChem CID 115689262) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-2-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-2-methylcyclopentan-1-amine
PubChem CID115689262
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC NameN-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-2-methylcyclopentan-1-amine
SMILESCC1CCCC1NCc1nncn1C1CC1
InChIInChI=1S/C12H20N4/c1-9-3-2-4-11(9)13-7-12-15-14-8-16(12)10-5-6-10/h8-11,13H,2-7H2,1H3
InChIKeyFOOKZAJEMWYAKV-UHFFFAOYSA-N
XLogP1.89
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-2-methylcyclopentan-1-amine?
The IUPAC name of N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-2-methylcyclopentan-1-amine (CID 115689262) is N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-2-methylcyclopentan-1-amine.
What is the SMILES notation for N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-2-methylcyclopentan-1-amine?
The canonical SMILES for N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-2-methylcyclopentan-1-amine is CC1CCCC1NCc1nncn1C1CC1.
What is the InChIKey of N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-2-methylcyclopentan-1-amine?
The InChIKey is FOOKZAJEMWYAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-9-3-2-4-11(9)13-7-12-15-14-8-16(12)10-5-6-10/h8-11,13H,2-7H2,1H3.
What are the key properties of N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-2-methylcyclopentan-1-amine?
N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-2-methylcyclopentan-1-amine has a molecular weight of 220.32 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-2-methylcyclopentan-1-amine is sourced from PubChem (CID 115689262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).