(Z)-4-(4-aminoimidazo[4,5-c]pyridin-1-yl)but-2-en-1-ol

C10H12N4O — CID 14134372

IUPAC(Z)-4-(4-aminoimidazo[4,5-c]pyridin-1-yl)but-2-en-1-ol
SMILESNc1nccc2c1ncn2C/C=C\CO
InChIInChI=1S/C10H12N4O/c11-10-9-8(3-4-12-10)14(7-13-9)5-1-2-6-15/h1-4,7,15H,5-6H2,(H2,11,12)/b2-1-
InChIKeyUPOPWDPXTWJIEQ-UPHRSURJSA-N
MW204.23 g/mol
LogP0.56
Rot. Bonds3

About (Z)-4-(4-aminoimidazo[4,5-c]pyridin-1-yl)but-2-en-1-ol

(Z)-4-(4-aminoimidazo[4,5-c]pyridin-1-yl)but-2-en-1-ol (PubChem CID 14134372) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is (Z)-4-(4-aminoimidazo[4,5-c]pyridin-1-yl)but-2-en-1-ol.

Molecular Properties

Compound Name(Z)-4-(4-aminoimidazo[4,5-c]pyridin-1-yl)but-2-en-1-ol
PubChem CID14134372
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name(Z)-4-(4-aminoimidazo[4,5-c]pyridin-1-yl)but-2-en-1-ol
SMILESNc1nccc2c1ncn2C/C=C\CO
InChIInChI=1S/C10H12N4O/c11-10-9-8(3-4-12-10)14(7-13-9)5-1-2-6-15/h1-4,7,15H,5-6H2,(H2,11,12)/b2-1-
InChIKeyUPOPWDPXTWJIEQ-UPHRSURJSA-N
XLogP0.56
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-(4-aminoimidazo[4,5-c]pyridin-1-yl)but-2-en-1-ol?
The IUPAC name of (Z)-4-(4-aminoimidazo[4,5-c]pyridin-1-yl)but-2-en-1-ol (CID 14134372) is (Z)-4-(4-aminoimidazo[4,5-c]pyridin-1-yl)but-2-en-1-ol.
What is the SMILES notation for (Z)-4-(4-aminoimidazo[4,5-c]pyridin-1-yl)but-2-en-1-ol?
The canonical SMILES for (Z)-4-(4-aminoimidazo[4,5-c]pyridin-1-yl)but-2-en-1-ol is Nc1nccc2c1ncn2C/C=C\CO.
What is the InChIKey of (Z)-4-(4-aminoimidazo[4,5-c]pyridin-1-yl)but-2-en-1-ol?
The InChIKey is UPOPWDPXTWJIEQ-UPHRSURJSA-N. The full InChI is InChI=1S/C10H12N4O/c11-10-9-8(3-4-12-10)14(7-13-9)5-1-2-6-15/h1-4,7,15H,5-6H2,(H2,11,12)/b2-1-.
What are the key properties of (Z)-4-(4-aminoimidazo[4,5-c]pyridin-1-yl)but-2-en-1-ol?
(Z)-4-(4-aminoimidazo[4,5-c]pyridin-1-yl)but-2-en-1-ol has a molecular weight of 204.23 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(4-aminoimidazo[4,5-c]pyridin-1-yl)but-2-en-1-ol is sourced from PubChem (CID 14134372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).