6-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]pyridazine-3-carboxamide

C13H14ClN5O — CID 61051446

IUPAC6-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]pyridazine-3-carboxamide
SMILESCn1ccnc1CN(C(=O)c1ccc(Cl)nn1)C1CC1
InChIInChI=1S/C13H14ClN5O/c1-18-7-6-15-12(18)8-19(9-2-3-9)13(20)10-4-5-11(14)17-16-10/h4-7,9H,2-3,8H2,1H3
InChIKeyGSYJBCAUNOWMNC-UHFFFAOYSA-N
MW291.74 g/mol
LogP1.67
Rot. Bonds4

About 6-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]pyridazine-3-carboxamide

6-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]pyridazine-3-carboxamide (PubChem CID 61051446) has the molecular formula C13H14ClN5O and a molecular weight of 291.74 g/mol. Its IUPAC name is 6-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]pyridazine-3-carboxamide
PubChem CID61051446
Molecular FormulaC13H14ClN5O
Molecular Weight291.74 g/mol
Exact Mass291.09
IUPAC Name6-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]pyridazine-3-carboxamide
SMILESCn1ccnc1CN(C(=O)c1ccc(Cl)nn1)C1CC1
InChIInChI=1S/C13H14ClN5O/c1-18-7-6-15-12(18)8-19(9-2-3-9)13(20)10-4-5-11(14)17-16-10/h4-7,9H,2-3,8H2,1H3
InChIKeyGSYJBCAUNOWMNC-UHFFFAOYSA-N
XLogP1.67
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-5-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 3710721
4-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 81226426
3,5-dibromo-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 103907950
N-cyclohexyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide
CID 42796220
N-cyclopropyl-6-fluoro-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 63977624
3-amino-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 60946346
3-amino-N-cyclopropyl-4-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 60946703
3-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-2-carboxamide
CID 51090240
N-[(1-methylimidazol-2-yl)methyl]-N-(4-phenylcyclohexyl)quinoline-2-carboxamide
CID 42796445
3-amino-N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 61108887
N-cyclopropyl-3,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-carboxamide
CID 60959154
2-bromo-N-cyclopropyl-6-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 114559517

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]pyridazine-3-carboxamide (CID 61051446) is 6-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]pyridazine-3-carboxamide is Cn1ccnc1CN(C(=O)c1ccc(Cl)nn1)C1CC1.
What is the InChIKey of 6-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]pyridazine-3-carboxamide?
The InChIKey is GSYJBCAUNOWMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5O/c1-18-7-6-15-12(18)8-19(9-2-3-9)13(20)10-4-5-11(14)17-16-10/h4-7,9H,2-3,8H2,1H3.
What are the key properties of 6-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]pyridazine-3-carboxamide?
6-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]pyridazine-3-carboxamide has a molecular weight of 291.74 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 61051446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).