N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide

C18H27N5O2 — CID 92667941

IUPACN-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide
SMILESCc1nn(CCCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c(=O)c2nccn12
InChIInChI=1S/C18H27N5O2/c1-12-6-4-7-15(13(12)2)20-16(24)8-5-10-23-18(25)17-19-9-11-22(17)14(3)21-23/h9,11-13,15H,4-8,10H2,1-3H3,(H,20,24)/t12-,13-,15-/m1/s1
InChIKeyRJIPDKGKYPCYNI-UMVBOHGHSA-N
MW345.45 g/mol
LogP1.92
Rot. Bonds5

About N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide

N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide (PubChem CID 92667941) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide
PubChem CID92667941
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC NameN-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide
SMILESCc1nn(CCCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c(=O)c2nccn12
InChIInChI=1S/C18H27N5O2/c1-12-6-4-7-15(13(12)2)20-16(24)8-5-10-23-18(25)17-19-9-11-22(17)14(3)21-23/h9,11-13,15H,4-8,10H2,1-3H3,(H,20,24)/t12-,13-,15-/m1/s1
InChIKeyRJIPDKGKYPCYNI-UMVBOHGHSA-N
XLogP1.92
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide with MolForge

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Related Compounds

N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-(4,12-dimethyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)butanamide
CID 92701287
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-4-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)butanamide
CID 92678966
N-(2,3-dimethylcyclohexyl)-3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide
CID 4136100
N-(2,3-dimethylcyclohexyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 51280662
N-(2-methylcyclohexyl)-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885648
5-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-5-oxopentanoic acid
CID 7317755
N-(2,3-dimethylcyclohexyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
CID 22514376
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide
CID 129376627
N-(2,3-dimethylcyclohexyl)tridecanamide
CID 57307251
N-(2,3-dimethylcyclohexyl)-2-(8-fluoro-4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide
CID 20884973
N-(2,3-dimethylcyclohexyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 23988000
N-(2,3-dimethylcyclohexyl)decanamide;ethane
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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide?
The IUPAC name of N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide (CID 92667941) is N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide.
What is the SMILES notation for N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide?
The canonical SMILES for N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide is Cc1nn(CCCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c(=O)c2nccn12.
What is the InChIKey of N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide?
The InChIKey is RJIPDKGKYPCYNI-UMVBOHGHSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-12-6-4-7-15(13(12)2)20-16(24)8-5-10-23-18(25)17-19-9-11-22(17)14(3)21-23/h9,11-13,15H,4-8,10H2,1-3H3,(H,20,24)/t12-,13-,15-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide?
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide has a molecular weight of 345.45 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide is sourced from PubChem (CID 92667941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).