2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]cyclopentane-1-carbonitrile

C14H20N4 — CID 62962746

IUPAC2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]cyclopentane-1-carbonitrile
SMILESCn1ncc2c1CCCC2NC1CCCC1C#N
InChIInChI=1S/C14H20N4/c1-18-14-7-3-6-13(11(14)9-16-18)17-12-5-2-4-10(12)8-15/h9-10,12-13,17H,2-7H2,1H3
InChIKeyNDNKEVDOWUZZDD-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.08
Rot. Bonds2

About 2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]cyclopentane-1-carbonitrile

2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]cyclopentane-1-carbonitrile (PubChem CID 62962746) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]cyclopentane-1-carbonitrile
PubChem CID62962746
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]cyclopentane-1-carbonitrile
SMILESCn1ncc2c1CCCC2NC1CCCC1C#N
InChIInChI=1S/C14H20N4/c1-18-14-7-3-6-13(11(14)9-16-18)17-12-5-2-4-10(12)8-15/h9-10,12-13,17H,2-7H2,1H3
InChIKeyNDNKEVDOWUZZDD-UHFFFAOYSA-N
XLogP2.08
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]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 2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]cyclopentane-1-carbonitrile (CID 62962746) is 2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]cyclopentane-1-carbonitrile is Cn1ncc2c1CCCC2NC1CCCC1C#N.
What is the InChIKey of 2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]cyclopentane-1-carbonitrile?
The InChIKey is NDNKEVDOWUZZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-18-14-7-3-6-13(11(14)9-16-18)17-12-5-2-4-10(12)8-15/h9-10,12-13,17H,2-7H2,1H3.
What are the key properties of 2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]cyclopentane-1-carbonitrile?
2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]cyclopentane-1-carbonitrile has a molecular weight of 244.34 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 62962746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).