2-(pyrazin-2-ylmethylamino)propan-1-ol

C8H13N3O — CID 62761626

IUPAC2-(pyrazin-2-ylmethylamino)propan-1-ol
SMILESCC(CO)NCc1cnccn1
InChIInChI=1S/C8H13N3O/c1-7(6-12)11-5-8-4-9-2-3-10-8/h2-4,7,11-12H,5-6H2,1H3
InChIKeySCQNDZRPWRBJNK-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.05
Rot. Bonds4

About 2-(pyrazin-2-ylmethylamino)propan-1-ol

2-(pyrazin-2-ylmethylamino)propan-1-ol (PubChem CID 62761626) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-(pyrazin-2-ylmethylamino)propan-1-ol.

Molecular Properties

Compound Name2-(pyrazin-2-ylmethylamino)propan-1-ol
PubChem CID62761626
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-(pyrazin-2-ylmethylamino)propan-1-ol
SMILESCC(CO)NCc1cnccn1
InChIInChI=1S/C8H13N3O/c1-7(6-12)11-5-8-4-9-2-3-10-8/h2-4,7,11-12H,5-6H2,1H3
InChIKeySCQNDZRPWRBJNK-UHFFFAOYSA-N
XLogP-0.05
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pyrazin-2-ylmethyl)butan-2-amine
CID 61023237
2-(pyrazin-2-ylmethylamino)propane-1,3-diol
CID 65312354
1-phenyl-N-(pyrazin-2-ylmethyl)propan-2-amine
CID 63011423
N-(pyrazin-2-ylmethyl)-1-pyrazol-1-ylpropan-2-amine
CID 62761307
1-(4-propan-2-ylphenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 62763603
methyl 3-methyl-2-(pyrazin-2-ylmethylamino)butanoate
CID 62761624
(2S)-2-[(5-methyl-2-pyridinyl)methylamino]propan-1-ol
CID 103773833
N-(pyrazin-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 62762497
N-ethyl-N-methyl-2-(pyrazin-2-ylmethylamino)propanamide
CID 103107971
N-(pyrazin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62763608
(1R)-1-(4-fluorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 81348280
1-[2-(pyrazin-2-ylmethylamino)propyl]pyrrolidin-2-one
CID 55109743

Frequently Asked Questions

What is the IUPAC name of 2-(pyrazin-2-ylmethylamino)propan-1-ol?
The IUPAC name of 2-(pyrazin-2-ylmethylamino)propan-1-ol (CID 62761626) is 2-(pyrazin-2-ylmethylamino)propan-1-ol.
What is the SMILES notation for 2-(pyrazin-2-ylmethylamino)propan-1-ol?
The canonical SMILES for 2-(pyrazin-2-ylmethylamino)propan-1-ol is CC(CO)NCc1cnccn1.
What is the InChIKey of 2-(pyrazin-2-ylmethylamino)propan-1-ol?
The InChIKey is SCQNDZRPWRBJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-7(6-12)11-5-8-4-9-2-3-10-8/h2-4,7,11-12H,5-6H2,1H3.
What are the key properties of 2-(pyrazin-2-ylmethylamino)propan-1-ol?
2-(pyrazin-2-ylmethylamino)propan-1-ol has a molecular weight of 167.21 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrazin-2-ylmethylamino)propan-1-ol is sourced from PubChem (CID 62761626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).