1-[[(3-chloropyrazin-2-yl)amino]methyl]cycloheptan-1-ol

C12H18ClN3O — CID 65122500

IUPAC1-[[(3-chloropyrazin-2-yl)amino]methyl]cycloheptan-1-ol
SMILESOC1(CNc2nccnc2Cl)CCCCCC1
InChIInChI=1S/C12H18ClN3O/c13-10-11(15-8-7-14-10)16-9-12(17)5-3-1-2-4-6-12/h7-8,17H,1-6,9H2,(H,15,16)
InChIKeyBQWSQKVZMHNJME-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.63
Rot. Bonds3

About 1-[[(3-chloropyrazin-2-yl)amino]methyl]cycloheptan-1-ol

1-[[(3-chloropyrazin-2-yl)amino]methyl]cycloheptan-1-ol (PubChem CID 65122500) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 1-[[(3-chloropyrazin-2-yl)amino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[(3-chloropyrazin-2-yl)amino]methyl]cycloheptan-1-ol
PubChem CID65122500
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name1-[[(3-chloropyrazin-2-yl)amino]methyl]cycloheptan-1-ol
SMILESOC1(CNc2nccnc2Cl)CCCCCC1
InChIInChI=1S/C12H18ClN3O/c13-10-11(15-8-7-14-10)16-9-12(17)5-3-1-2-4-6-12/h7-8,17H,1-6,9H2,(H,15,16)
InChIKeyBQWSQKVZMHNJME-UHFFFAOYSA-N
XLogP2.63
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(3-chloropyrazin-2-yl)amino]methyl]cyclopentan-1-ol
CID 65108811
3-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrazin-2-amine
CID 83112048
2-[1-[[(3-chloropyrazin-2-yl)amino]methyl]cyclopropyl]ethanol
CID 114757217
1-[[(5-chloro-2-methoxypyrimidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 80757941
1-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]cycloheptan-1-ol
CID 79728355
1-[[(3-bromo-5-chloro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 114835960
1-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 79075802
1-[[(2-chloropyrimidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 65122552
1-[[(2-chloro-4-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 103911762
3-[(1-hydroxycyclopentyl)methylamino]-1H-pyrazin-2-one
CID 115677846
1-[[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 80915223
1-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 79073024

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-chloropyrazin-2-yl)amino]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[(3-chloropyrazin-2-yl)amino]methyl]cycloheptan-1-ol (CID 65122500) is 1-[[(3-chloropyrazin-2-yl)amino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[(3-chloropyrazin-2-yl)amino]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[(3-chloropyrazin-2-yl)amino]methyl]cycloheptan-1-ol is OC1(CNc2nccnc2Cl)CCCCCC1.
What is the InChIKey of 1-[[(3-chloropyrazin-2-yl)amino]methyl]cycloheptan-1-ol?
The InChIKey is BQWSQKVZMHNJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c13-10-11(15-8-7-14-10)16-9-12(17)5-3-1-2-4-6-12/h7-8,17H,1-6,9H2,(H,15,16).
What are the key properties of 1-[[(3-chloropyrazin-2-yl)amino]methyl]cycloheptan-1-ol?
1-[[(3-chloropyrazin-2-yl)amino]methyl]cycloheptan-1-ol has a molecular weight of 255.75 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-chloropyrazin-2-yl)amino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 65122500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).