1-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol

C14H22ClN5O — CID 65108709

IUPAC1-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
SMILESOC1(CNc2nc(Cl)nc(N3CCCC3)n2)CCCCC1
InChIInChI=1S/C14H22ClN5O/c15-11-17-12(16-10-14(21)6-2-1-3-7-14)19-13(18-11)20-8-4-5-9-20/h21H,1-10H2,(H,16,17,18,19)
InChIKeyHMQDOZKXZFGTSP-UHFFFAOYSA-N
MW311.82 g/mol
LogP2.23
Rot. Bonds4

About 1-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol

1-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 65108709) has the molecular formula C14H22ClN5O and a molecular weight of 311.82 g/mol. Its IUPAC name is 1-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
PubChem CID65108709
Molecular FormulaC14H22ClN5O
Molecular Weight311.82 g/mol
Exact Mass311.15
IUPAC Name1-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
SMILESOC1(CNc2nc(Cl)nc(N3CCCC3)n2)CCCCC1
InChIInChI=1S/C14H22ClN5O/c15-11-17-12(16-10-14(21)6-2-1-3-7-14)19-13(18-11)20-8-4-5-9-20/h21H,1-10H2,(H,16,17,18,19)
InChIKeyHMQDOZKXZFGTSP-UHFFFAOYSA-N
XLogP2.23
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.82
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol 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-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol (CID 65108709) is 1-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol is OC1(CNc2nc(Cl)nc(N3CCCC3)n2)CCCCC1.
What is the InChIKey of 1-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is HMQDOZKXZFGTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN5O/c15-11-17-12(16-10-14(21)6-2-1-3-7-14)19-13(18-11)20-8-4-5-9-20/h21H,1-10H2,(H,16,17,18,19).
What are the key properties of 1-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol?
1-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 311.82 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65108709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).