4-(methylamino)-1-pyrazin-2-ylbutane-1,2-diol

C9H15N3O2 — CID 171889622

IUPAC4-(methylamino)-1-pyrazin-2-ylbutane-1,2-diol
SMILESCNCCC(O)C(O)c1cnccn1
InChIInChI=1S/C9H15N3O2/c1-10-3-2-8(13)9(14)7-6-11-4-5-12-7/h4-6,8-10,13-14H,2-3H2,1H3
InChIKeyYEFMOGPTWIAJGI-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.52
Rot. Bonds5

About 4-(methylamino)-1-pyrazin-2-ylbutane-1,2-diol

4-(methylamino)-1-pyrazin-2-ylbutane-1,2-diol (PubChem CID 171889622) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-(methylamino)-1-pyrazin-2-ylbutane-1,2-diol.

Molecular Properties

Compound Name4-(methylamino)-1-pyrazin-2-ylbutane-1,2-diol
PubChem CID171889622
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name4-(methylamino)-1-pyrazin-2-ylbutane-1,2-diol
SMILESCNCCC(O)C(O)c1cnccn1
InChIInChI=1S/C9H15N3O2/c1-10-3-2-8(13)9(14)7-6-11-4-5-12-7/h4-6,8-10,13-14H,2-3H2,1H3
InChIKeyYEFMOGPTWIAJGI-UHFFFAOYSA-N
XLogP-0.52
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-1-pyrazin-2-ylpropane-1,2-diol
CID 171859387
(1S)-2-(methylamino)-1-pyrazin-2-ylethanol
CID 96734230
1-(5-chloro-2-pyridinyl)-4-(methylamino)butane-1,2-diol
CID 171889689
(3R)-3-(methylamino)-3-pyrazin-2-ylpropan-1-ol
CID 96762763
1-(5-bromopyrimidin-2-yl)-4-(methylamino)butane-1,2-diol
CID 171891272
4-(methylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diol
CID 171890626
2,3,3-trimethyl-1-pyrazin-2-ylbutan-1-ol
CID 130506995
1,1-difluoro-3-(1-pyrazin-2-ylethylamino)propan-2-ol
CID 103787955
N,4,4-trimethyl-1-pyrazin-2-ylpentan-1-amine
CID 62601001
N-methyl-1,1-di(pyrazin-2-yl)methanamine
CID 63968599
1-(1-pyrazin-2-ylethylamino)pentan-2-ol
CID 115719323
1-(2-amino-3-pyridinyl)-4-(methylamino)butane-1,2-diol
CID 171889665

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-1-pyrazin-2-ylbutane-1,2-diol?
The IUPAC name of 4-(methylamino)-1-pyrazin-2-ylbutane-1,2-diol (CID 171889622) is 4-(methylamino)-1-pyrazin-2-ylbutane-1,2-diol.
What is the SMILES notation for 4-(methylamino)-1-pyrazin-2-ylbutane-1,2-diol?
The canonical SMILES for 4-(methylamino)-1-pyrazin-2-ylbutane-1,2-diol is CNCCC(O)C(O)c1cnccn1.
What is the InChIKey of 4-(methylamino)-1-pyrazin-2-ylbutane-1,2-diol?
The InChIKey is YEFMOGPTWIAJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-10-3-2-8(13)9(14)7-6-11-4-5-12-7/h4-6,8-10,13-14H,2-3H2,1H3.
What are the key properties of 4-(methylamino)-1-pyrazin-2-ylbutane-1,2-diol?
4-(methylamino)-1-pyrazin-2-ylbutane-1,2-diol has a molecular weight of 197.24 g/mol, XLogP of -0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-1-pyrazin-2-ylbutane-1,2-diol is sourced from PubChem (CID 171889622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).