1-[[(5-methylpyrazin-2-yl)methylamino]methyl]cyclopentan-1-ol

C12H19N3O — CID 65210694

IUPAC1-[[(5-methylpyrazin-2-yl)methylamino]methyl]cyclopentan-1-ol
SMILESCc1cnc(CNCC2(O)CCCC2)cn1
InChIInChI=1S/C12H19N3O/c1-10-6-15-11(8-14-10)7-13-9-12(16)4-2-3-5-12/h6,8,13,16H,2-5,7,9H2,1H3
InChIKeyFNISSOCXTRWKQU-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.18
Rot. Bonds4

About 1-[[(5-methylpyrazin-2-yl)methylamino]methyl]cyclopentan-1-ol

1-[[(5-methylpyrazin-2-yl)methylamino]methyl]cyclopentan-1-ol (PubChem CID 65210694) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[[(5-methylpyrazin-2-yl)methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(5-methylpyrazin-2-yl)methylamino]methyl]cyclopentan-1-ol
PubChem CID65210694
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-[[(5-methylpyrazin-2-yl)methylamino]methyl]cyclopentan-1-ol
SMILESCc1cnc(CNCC2(O)CCCC2)cn1
InChIInChI=1S/C12H19N3O/c1-10-6-15-11(8-14-10)7-13-9-12(16)4-2-3-5-12/h6,8,13,16H,2-5,7,9H2,1H3
InChIKeyFNISSOCXTRWKQU-UHFFFAOYSA-N
XLogP1.18
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[(5-methylpyrazin-2-yl)methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(5-methylpyrazin-2-yl)methylamino]methyl]cyclopentan-1-ol (CID 65210694) is 1-[[(5-methylpyrazin-2-yl)methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(5-methylpyrazin-2-yl)methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(5-methylpyrazin-2-yl)methylamino]methyl]cyclopentan-1-ol is Cc1cnc(CNCC2(O)CCCC2)cn1.
What is the InChIKey of 1-[[(5-methylpyrazin-2-yl)methylamino]methyl]cyclopentan-1-ol?
The InChIKey is FNISSOCXTRWKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-10-6-15-11(8-14-10)7-13-9-12(16)4-2-3-5-12/h6,8,13,16H,2-5,7,9H2,1H3.
What are the key properties of 1-[[(5-methylpyrazin-2-yl)methylamino]methyl]cyclopentan-1-ol?
1-[[(5-methylpyrazin-2-yl)methylamino]methyl]cyclopentan-1-ol has a molecular weight of 221.30 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-methylpyrazin-2-yl)methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 65210694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).