3-(5,6-diaminopyrazin-2-yl)prop-2-en-1-ol

C7H10N4O — CID 169452977

IUPAC3-(5,6-diaminopyrazin-2-yl)prop-2-en-1-ol
SMILESNc1ncc(C=CCO)nc1N
InChIInChI=1S/C7H10N4O/c8-6-7(9)11-5(4-10-6)2-1-3-12/h1-2,4,12H,3H2,(H2,8,10)(H2,9,11)
InChIKeySIABUQZUBLSIMT-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.35
Rot. Bonds2

About 3-(5,6-diaminopyrazin-2-yl)prop-2-en-1-ol

3-(5,6-diaminopyrazin-2-yl)prop-2-en-1-ol (PubChem CID 169452977) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 3-(5,6-diaminopyrazin-2-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name3-(5,6-diaminopyrazin-2-yl)prop-2-en-1-ol
PubChem CID169452977
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name3-(5,6-diaminopyrazin-2-yl)prop-2-en-1-ol
SMILESNc1ncc(C=CCO)nc1N
InChIInChI=1S/C7H10N4O/c8-6-7(9)11-5(4-10-6)2-1-3-12/h1-2,4,12H,3H2,(H2,8,10)(H2,9,11)
InChIKeySIABUQZUBLSIMT-UHFFFAOYSA-N
XLogP-0.35
TPSA98.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(6-methylpyrazin-2-yl)prop-2-en-1-ol
CID 169452856
(E)-3-pyrazin-2-ylprop-2-en-1-ol
CID 162376500
4-(5-amino-6-chloropyrazin-2-yl)but-3-enenitrile
CID 170799459
3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-ol
CID 169453823
3-(5-amino-3-chloropyrazin-2-yl)prop-2-en-1-ol
CID 169453132
3-(6-aminopyridazin-3-yl)prop-2-en-1-ol
CID 169452908
(E)-3-(5-iodo-2-pyridinyl)prop-2-en-1-ol
CID 69333848
4-(5-amino-6-methoxypyrazin-2-yl)but-3-enal
CID 170481977
methyl 3-amino-6-(4-amino-4-oxobut-1-enyl)pyrazine-2-carboxylate
CID 170798601
methyl 6-(3-acetylsulfanylprop-1-enyl)-3-aminopyrazine-2-carboxylate
CID 169457903
5-[(E)-but-1-enyl]-3-piperidin-1-ylpyrazin-2-amine
CID 176768327
(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-ol
CID 22244458

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-diaminopyrazin-2-yl)prop-2-en-1-ol?
The IUPAC name of 3-(5,6-diaminopyrazin-2-yl)prop-2-en-1-ol (CID 169452977) is 3-(5,6-diaminopyrazin-2-yl)prop-2-en-1-ol.
What is the SMILES notation for 3-(5,6-diaminopyrazin-2-yl)prop-2-en-1-ol?
The canonical SMILES for 3-(5,6-diaminopyrazin-2-yl)prop-2-en-1-ol is Nc1ncc(C=CCO)nc1N.
What is the InChIKey of 3-(5,6-diaminopyrazin-2-yl)prop-2-en-1-ol?
The InChIKey is SIABUQZUBLSIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c8-6-7(9)11-5(4-10-6)2-1-3-12/h1-2,4,12H,3H2,(H2,8,10)(H2,9,11).
What are the key properties of 3-(5,6-diaminopyrazin-2-yl)prop-2-en-1-ol?
3-(5,6-diaminopyrazin-2-yl)prop-2-en-1-ol has a molecular weight of 166.18 g/mol, XLogP of -0.35, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-diaminopyrazin-2-yl)prop-2-en-1-ol is sourced from PubChem (CID 169452977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).