4-[(6-chloropyrazin-2-yl)amino]-1-pyridin-3-ylcyclohexan-1-ol

C15H17ClN4O — CID 167801146

IUPAC4-[(6-chloropyrazin-2-yl)amino]-1-pyridin-3-ylcyclohexan-1-ol
SMILESOC1(c2cccnc2)CCC(Nc2cncc(Cl)n2)CC1
InChIInChI=1S/C15H17ClN4O/c16-13-9-18-10-14(20-13)19-12-3-5-15(21,6-4-12)11-2-1-7-17-8-11/h1-2,7-10,12,21H,3-6H2,(H,19,20)
InChIKeyAUXUUXILRXKYJM-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.77
Rot. Bonds3

About 4-[(6-chloropyrazin-2-yl)amino]-1-pyridin-3-ylcyclohexan-1-ol

4-[(6-chloropyrazin-2-yl)amino]-1-pyridin-3-ylcyclohexan-1-ol (PubChem CID 167801146) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 4-[(6-chloropyrazin-2-yl)amino]-1-pyridin-3-ylcyclohexan-1-ol.

Molecular Properties

Compound Name4-[(6-chloropyrazin-2-yl)amino]-1-pyridin-3-ylcyclohexan-1-ol
PubChem CID167801146
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name4-[(6-chloropyrazin-2-yl)amino]-1-pyridin-3-ylcyclohexan-1-ol
SMILESOC1(c2cccnc2)CCC(Nc2cncc(Cl)n2)CC1
InChIInChI=1S/C15H17ClN4O/c16-13-9-18-10-14(20-13)19-12-3-5-15(21,6-4-12)11-2-1-7-17-8-11/h1-2,7-10,12,21H,3-6H2,(H,19,20)
InChIKeyAUXUUXILRXKYJM-UHFFFAOYSA-N
XLogP2.77
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloropyrazin-2-yl)amino]-1-pyridin-3-ylcyclohexan-1-ol?
The IUPAC name of 4-[(6-chloropyrazin-2-yl)amino]-1-pyridin-3-ylcyclohexan-1-ol (CID 167801146) is 4-[(6-chloropyrazin-2-yl)amino]-1-pyridin-3-ylcyclohexan-1-ol.
What is the SMILES notation for 4-[(6-chloropyrazin-2-yl)amino]-1-pyridin-3-ylcyclohexan-1-ol?
The canonical SMILES for 4-[(6-chloropyrazin-2-yl)amino]-1-pyridin-3-ylcyclohexan-1-ol is OC1(c2cccnc2)CCC(Nc2cncc(Cl)n2)CC1.
What is the InChIKey of 4-[(6-chloropyrazin-2-yl)amino]-1-pyridin-3-ylcyclohexan-1-ol?
The InChIKey is AUXUUXILRXKYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c16-13-9-18-10-14(20-13)19-12-3-5-15(21,6-4-12)11-2-1-7-17-8-11/h1-2,7-10,12,21H,3-6H2,(H,19,20).
What are the key properties of 4-[(6-chloropyrazin-2-yl)amino]-1-pyridin-3-ylcyclohexan-1-ol?
4-[(6-chloropyrazin-2-yl)amino]-1-pyridin-3-ylcyclohexan-1-ol has a molecular weight of 304.78 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloropyrazin-2-yl)amino]-1-pyridin-3-ylcyclohexan-1-ol is sourced from PubChem (CID 167801146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).