3-[[(6-chloropyrazin-2-yl)amino]methyl]pentan-3-ol

C10H16ClN3O — CID 47476444

IUPAC3-[[(6-chloropyrazin-2-yl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNc1cncc(Cl)n1
InChIInChI=1S/C10H16ClN3O/c1-3-10(15,4-2)7-13-9-6-12-5-8(11)14-9/h5-6,15H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyMPTQNOJORCNVDW-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.09
Rot. Bonds5

About 3-[[(6-chloropyrazin-2-yl)amino]methyl]pentan-3-ol

3-[[(6-chloropyrazin-2-yl)amino]methyl]pentan-3-ol (PubChem CID 47476444) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 3-[[(6-chloropyrazin-2-yl)amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(6-chloropyrazin-2-yl)amino]methyl]pentan-3-ol
PubChem CID47476444
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name3-[[(6-chloropyrazin-2-yl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNc1cncc(Cl)n1
InChIInChI=1S/C10H16ClN3O/c1-3-10(15,4-2)7-13-9-6-12-5-8(11)14-9/h5-6,15H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyMPTQNOJORCNVDW-UHFFFAOYSA-N
XLogP2.09
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(6-chloropyrazin-2-yl)amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[(6-chloropyrazin-2-yl)amino]methyl]pentan-3-ol (CID 47476444) is 3-[[(6-chloropyrazin-2-yl)amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(6-chloropyrazin-2-yl)amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(6-chloropyrazin-2-yl)amino]methyl]pentan-3-ol is CCC(O)(CC)CNc1cncc(Cl)n1.
What is the InChIKey of 3-[[(6-chloropyrazin-2-yl)amino]methyl]pentan-3-ol?
The InChIKey is MPTQNOJORCNVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-3-10(15,4-2)7-13-9-6-12-5-8(11)14-9/h5-6,15H,3-4,7H2,1-2H3,(H,13,14).
What are the key properties of 3-[[(6-chloropyrazin-2-yl)amino]methyl]pentan-3-ol?
3-[[(6-chloropyrazin-2-yl)amino]methyl]pentan-3-ol has a molecular weight of 229.71 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-chloropyrazin-2-yl)amino]methyl]pentan-3-ol is sourced from PubChem (CID 47476444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).