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

C9H14N4 — CID 130987230

IUPAC1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine
SMILESNC1(Cc2nncn2C2CC2)CC1
InChIInChI=1S/C9H14N4/c10-9(3-4-9)5-8-12-11-6-13(8)7-1-2-7/h6-7H,1-5,10H2
InChIKeyIOOSBNKJQHUZCG-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.65
Rot. Bonds3

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

1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine (PubChem CID 130987230) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine
PubChem CID130987230
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine
SMILESNC1(Cc2nncn2C2CC2)CC1
InChIInChI=1S/C9H14N4/c10-9(3-4-9)5-8-12-11-6-13(8)7-1-2-7/h6-7H,1-5,10H2
InChIKeyIOOSBNKJQHUZCG-UHFFFAOYSA-N
XLogP0.65
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine (CID 130987230) is 1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine is NC1(Cc2nncn2C2CC2)CC1.
What is the InChIKey of 1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine?
The InChIKey is IOOSBNKJQHUZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c10-9(3-4-9)5-8-12-11-6-13(8)7-1-2-7/h6-7H,1-5,10H2.
What are the key properties of 1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine?
1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine has a molecular weight of 178.24 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 130987230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).