1-(cyclopropylamino)-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclopentane-1-carbonitrile

C12H17N5S — CID 104603723

IUPAC1-(cyclopropylamino)-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclopentane-1-carbonitrile
SMILESCn1ncnc1SC1CCC(C#N)(NC2CC2)C1
InChIInChI=1S/C12H17N5S/c1-17-11(14-8-15-17)18-10-4-5-12(6-10,7-13)16-9-2-3-9/h8-10,16H,2-6H2,1H3
InChIKeyGZAMVHIHMCKLTC-UHFFFAOYSA-N
MW263.37 g/mol
LogP1.47
Rot. Bonds4

About 1-(cyclopropylamino)-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclopentane-1-carbonitrile

1-(cyclopropylamino)-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclopentane-1-carbonitrile (PubChem CID 104603723) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclopentane-1-carbonitrile
PubChem CID104603723
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC Name1-(cyclopropylamino)-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclopentane-1-carbonitrile
SMILESCn1ncnc1SC1CCC(C#N)(NC2CC2)C1
InChIInChI=1S/C12H17N5S/c1-17-11(14-8-15-17)18-10-4-5-12(6-10,7-13)16-9-2-3-9/h8-10,16H,2-6H2,1H3
InChIKeyGZAMVHIHMCKLTC-UHFFFAOYSA-N
XLogP1.47
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(cyclopropylamino)-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclopentane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-(cyclopropylamino)-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclopentane-1-carbonitrile (CID 104603723) is 1-(cyclopropylamino)-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(cyclopropylamino)-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(cyclopropylamino)-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclopentane-1-carbonitrile is Cn1ncnc1SC1CCC(C#N)(NC2CC2)C1.
What is the InChIKey of 1-(cyclopropylamino)-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclopentane-1-carbonitrile?
The InChIKey is GZAMVHIHMCKLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c1-17-11(14-8-15-17)18-10-4-5-12(6-10,7-13)16-9-2-3-9/h8-10,16H,2-6H2,1H3.
What are the key properties of 1-(cyclopropylamino)-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclopentane-1-carbonitrile?
1-(cyclopropylamino)-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclopentane-1-carbonitrile has a molecular weight of 263.37 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 104603723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).