N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-carboxamide

C15H18N6O — CID 126916983

IUPACN-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-carboxamide
SMILESO=C(NCC1CN(c2ccc(C3CC3)nn2)C1)c1cnc[nH]1
InChIInChI=1S/C15H18N6O/c22-15(13-6-16-9-18-13)17-5-10-7-21(8-10)14-4-3-12(19-20-14)11-1-2-11/h3-4,6,9-11H,1-2,5,7-8H2,(H,16,18)(H,17,22)
InChIKeyXJWPVPQTSIWSCQ-UHFFFAOYSA-N
MW298.35 g/mol
LogP0.94
Rot. Bonds5

About N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-carboxamide

N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-carboxamide (PubChem CID 126916983) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-carboxamide
PubChem CID126916983
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC NameN-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-carboxamide
SMILESO=C(NCC1CN(c2ccc(C3CC3)nn2)C1)c1cnc[nH]1
InChIInChI=1S/C15H18N6O/c22-15(13-6-16-9-18-13)17-5-10-7-21(8-10)14-4-3-12(19-20-14)11-1-2-11/h3-4,6,9-11H,1-2,5,7-8H2,(H,16,18)(H,17,22)
InChIKeyXJWPVPQTSIWSCQ-UHFFFAOYSA-N
XLogP0.94
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-indole-5-carboxamide
CID 126916973
N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-carboxamide
CID 126919263
N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1-methylindazole-3-carboxamide
CID 126917005
N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]oxolane-3-carboxamide
CID 126916955
N-[[(3R)-1-(4-bromophenyl)pyrrolidin-3-yl]methyl]-1H-imidazole-5-carboxamide
CID 95294595
1-[[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol
CID 126917215
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 126917778
N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-pyrazole-4-carboxamide
CID 126919969
N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-1H-imidazole-5-carboxamide
CID 125177932
N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-pyrazol-1-ylpyrazin-2-amine
CID 126917165
N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 126917028
6-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]-2-methylpyridazin-3-one
CID 126917193

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-carboxamide (CID 126916983) is N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-carboxamide is O=C(NCC1CN(c2ccc(C3CC3)nn2)C1)c1cnc[nH]1.
What is the InChIKey of N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-carboxamide?
The InChIKey is XJWPVPQTSIWSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c22-15(13-6-16-9-18-13)17-5-10-7-21(8-10)14-4-3-12(19-20-14)11-1-2-11/h3-4,6,9-11H,1-2,5,7-8H2,(H,16,18)(H,17,22).
What are the key properties of N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-carboxamide?
N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 126916983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).