2-(pyrazin-2-ylmethylamino)propane-1,3-diol

C8H13N3O2 — CID 65312354

IUPAC2-(pyrazin-2-ylmethylamino)propane-1,3-diol
SMILESOCC(CO)NCc1cnccn1
InChIInChI=1S/C8H13N3O2/c12-5-8(6-13)11-4-7-3-9-1-2-10-7/h1-3,8,11-13H,4-6H2
InChIKeyXMKVECLRKAITLC-UHFFFAOYSA-N
MW183.21 g/mol
LogP-1.08
Rot. Bonds5

About 2-(pyrazin-2-ylmethylamino)propane-1,3-diol

2-(pyrazin-2-ylmethylamino)propane-1,3-diol (PubChem CID 65312354) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-(pyrazin-2-ylmethylamino)propane-1,3-diol.

Molecular Properties

Compound Name2-(pyrazin-2-ylmethylamino)propane-1,3-diol
PubChem CID65312354
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-(pyrazin-2-ylmethylamino)propane-1,3-diol
SMILESOCC(CO)NCc1cnccn1
InChIInChI=1S/C8H13N3O2/c12-5-8(6-13)11-4-7-3-9-1-2-10-7/h1-3,8,11-13H,4-6H2
InChIKeyXMKVECLRKAITLC-UHFFFAOYSA-N
XLogP-1.08
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(pyrazin-2-ylmethylamino)propan-1-ol
CID 62761626
N-(pyrazin-2-ylmethyl)butan-2-amine
CID 61023237
6-(pyrazin-2-ylmethylamino)hexan-1-ol
CID 103846289
methyl 3-methyl-2-(pyrazin-2-ylmethylamino)butanoate
CID 62761624
1-(4-propan-2-ylphenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 62763603
2,2-difluoro-N-(pyrazin-2-ylmethyl)ethanamine
CID 115405977
N-(pyrazin-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 62762497
N-ethyl-N-methyl-2-(pyrazin-2-ylmethylamino)propanamide
CID 103107971
1-phenyl-N-(pyrazin-2-ylmethyl)propan-2-amine
CID 63011423
(1R)-1-(4-fluorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 81348280
(1S)-1-(3-chlorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 81366845
[4-(pyrazin-2-ylmethylamino)oxan-4-yl]methanol
CID 106297102

Frequently Asked Questions

What is the IUPAC name of 2-(pyrazin-2-ylmethylamino)propane-1,3-diol?
The IUPAC name of 2-(pyrazin-2-ylmethylamino)propane-1,3-diol (CID 65312354) is 2-(pyrazin-2-ylmethylamino)propane-1,3-diol.
What is the SMILES notation for 2-(pyrazin-2-ylmethylamino)propane-1,3-diol?
The canonical SMILES for 2-(pyrazin-2-ylmethylamino)propane-1,3-diol is OCC(CO)NCc1cnccn1.
What is the InChIKey of 2-(pyrazin-2-ylmethylamino)propane-1,3-diol?
The InChIKey is XMKVECLRKAITLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c12-5-8(6-13)11-4-7-3-9-1-2-10-7/h1-3,8,11-13H,4-6H2.
What are the key properties of 2-(pyrazin-2-ylmethylamino)propane-1,3-diol?
2-(pyrazin-2-ylmethylamino)propane-1,3-diol has a molecular weight of 183.21 g/mol, XLogP of -1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrazin-2-ylmethylamino)propane-1,3-diol is sourced from PubChem (CID 65312354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).