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

C7H8N4O — CID 169484738

IUPAC3-(5,6-diaminopyrazin-2-yl)prop-2-yn-1-ol
SMILESNc1ncc(C#CCO)nc1N
InChIInChI=1S/C7H8N4O/c8-6-7(9)11-5(4-10-6)2-1-3-12/h4,12H,3H2,(H2,8,10)(H2,9,11)
InChIKeyCMXPCCWOURNEAV-UHFFFAOYSA-N
MW164.17 g/mol
LogP-1.02
Rot. Bonds

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

3-(5,6-diaminopyrazin-2-yl)prop-2-yn-1-ol (PubChem CID 169484738) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 3-(5,6-diaminopyrazin-2-yl)prop-2-yn-1-ol.

Molecular Properties

Compound Name3-(5,6-diaminopyrazin-2-yl)prop-2-yn-1-ol
PubChem CID169484738
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name3-(5,6-diaminopyrazin-2-yl)prop-2-yn-1-ol
SMILESNc1ncc(C#CCO)nc1N
InChIInChI=1S/C7H8N4O/c8-6-7(9)11-5(4-10-6)2-1-3-12/h4,12H,3H2,(H2,8,10)(H2,9,11)
InChIKeyCMXPCCWOURNEAV-UHFFFAOYSA-N
XLogP-1.02
TPSA98.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminopyrimidin-4-yl)prop-2-yn-1-ol
CID 169484687
3-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]prop-2-yn-1-ol
CID 169485542
3-(2-amino-5-chloro-3-pyridinyl)prop-2-yn-1-ol
CID 169484741
3-(3-amino-6-methylsulfanylpyrazin-2-yl)prop-2-yn-1-ol
CID 22504411
3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-yn-1-ol
CID 169485147
3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]prop-2-yn-1-ol
CID 169485449
3-(1H-pyrazolo[3,4-c]pyridin-5-yl)prop-2-yn-1-ol
CID 169485143
4-(5-amino-6-methoxypyrazin-2-yl)but-3-ynenitrile
CID 170474926
3-(5-methylsulfanyl-2-pyridinyl)prop-2-yn-1-ol
CID 139335443
3-(5-bromo-6-methyl-2-pyridinyl)prop-2-yn-1-ol
CID 146448453
3-(5,6-diaminopyrazin-2-yl)prop-2-en-1-ol
CID 169452977
methane;3-(2-methyl-1H-imidazol-5-yl)prop-2-yn-1-ol
CID 158443193

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-diaminopyrazin-2-yl)prop-2-yn-1-ol?
The IUPAC name of 3-(5,6-diaminopyrazin-2-yl)prop-2-yn-1-ol (CID 169484738) is 3-(5,6-diaminopyrazin-2-yl)prop-2-yn-1-ol.
What is the SMILES notation for 3-(5,6-diaminopyrazin-2-yl)prop-2-yn-1-ol?
The canonical SMILES for 3-(5,6-diaminopyrazin-2-yl)prop-2-yn-1-ol is Nc1ncc(C#CCO)nc1N.
What is the InChIKey of 3-(5,6-diaminopyrazin-2-yl)prop-2-yn-1-ol?
The InChIKey is CMXPCCWOURNEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c8-6-7(9)11-5(4-10-6)2-1-3-12/h4,12H,3H2,(H2,8,10)(H2,9,11).
What are the key properties of 3-(5,6-diaminopyrazin-2-yl)prop-2-yn-1-ol?
3-(5,6-diaminopyrazin-2-yl)prop-2-yn-1-ol has a molecular weight of 164.17 g/mol, XLogP of -1.02, 0 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-yn-1-ol is sourced from PubChem (CID 169484738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).