N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]pyridazine-4-carboxamide

C14H17N5O2 — CID 110127815

IUPACN-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]pyridazine-4-carboxamide
SMILESO=C(N[C@@H]1CCCC(n2ccnc2)[C@@H]1O)c1ccnnc1
InChIInChI=1S/C14H17N5O2/c20-13-11(18-14(21)10-4-5-16-17-8-10)2-1-3-12(13)19-7-6-15-9-19/h4-9,11-13,20H,1-3H2,(H,18,21)/t11-,12?,13-/m1/s1
InChIKeyHEUIVNCHNLAIRE-LKOMHFJYSA-N
MW287.32 g/mol
LogP0.56
Rot. Bonds3

About N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]pyridazine-4-carboxamide

N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]pyridazine-4-carboxamide (PubChem CID 110127815) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]pyridazine-4-carboxamide
PubChem CID110127815
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC NameN-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]pyridazine-4-carboxamide
SMILESO=C(N[C@@H]1CCCC(n2ccnc2)[C@@H]1O)c1ccnnc1
InChIInChI=1S/C14H17N5O2/c20-13-11(18-14(21)10-4-5-16-17-8-10)2-1-3-12(13)19-7-6-15-9-19/h4-9,11-13,20H,1-3H2,(H,18,21)/t11-,12?,13-/m1/s1
InChIKeyHEUIVNCHNLAIRE-LKOMHFJYSA-N
XLogP0.56
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]pyridazine-4-carboxamide?
The IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]pyridazine-4-carboxamide (CID 110127815) is N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]pyridazine-4-carboxamide is O=C(N[C@@H]1CCCC(n2ccnc2)[C@@H]1O)c1ccnnc1.
What is the InChIKey of N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]pyridazine-4-carboxamide?
The InChIKey is HEUIVNCHNLAIRE-LKOMHFJYSA-N. The full InChI is InChI=1S/C14H17N5O2/c20-13-11(18-14(21)10-4-5-16-17-8-10)2-1-3-12(13)19-7-6-15-9-19/h4-9,11-13,20H,1-3H2,(H,18,21)/t11-,12?,13-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]pyridazine-4-carboxamide?
N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]pyridazine-4-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]pyridazine-4-carboxamide is sourced from PubChem (CID 110127815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).