N'-hydroxy-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboximidamide

C9H14N4O — CID 83878925

IUPACN'-hydroxy-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboximidamide
SMILESCc1nc(/C(N)=N\O)c2n1CCCC2
InChIInChI=1S/C9H14N4O/c1-6-11-8(9(10)12-14)7-4-2-3-5-13(6)7/h14H,2-5H2,1H3,(H2,10,12)
InChIKeyLPPVHQIKORDGNY-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.62
Rot. Bonds1

About N'-hydroxy-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboximidamide

N'-hydroxy-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboximidamide (PubChem CID 83878925) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is N'-hydroxy-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboximidamide
PubChem CID83878925
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC NameN'-hydroxy-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboximidamide
SMILESCc1nc(/C(N)=N\O)c2n1CCCC2
InChIInChI=1S/C9H14N4O/c1-6-11-8(9(10)12-14)7-4-2-3-5-13(6)7/h14H,2-5H2,1H3,(H2,10,12)
InChIKeyLPPVHQIKORDGNY-UHFFFAOYSA-N
XLogP0.62
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)propan-2-amine
CID 83865351
[(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanone
CID 96566251
2-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)propanoic acid
CID 83883838
methyl (1S,2S,3R,4S)-3-[(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylate
CID 98345519
ethyl 3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylate
CID 131355066
methyl (3S)-3-[(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl)amino]-3-phenylpropanoate
CID 97008528
1-(3-cyanophenoxy)propan-2-yl 3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylate
CID 75381404
[[amino-(4-methoxyphenyl)methylidene]amino] 3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxylate
CID 138112306
[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxylate
CID 75526772
2-hydroxy-2-(3-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetic acid
CID 82399811
ethyl 3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate
CID 68793305
N-[2-(3-fluorophenoxy)ethyl]-N,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 71982058

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboximidamide?
The IUPAC name of N'-hydroxy-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboximidamide (CID 83878925) is N'-hydroxy-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboximidamide?
The canonical SMILES for N'-hydroxy-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboximidamide is Cc1nc(/C(N)=N\O)c2n1CCCC2.
What is the InChIKey of N'-hydroxy-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboximidamide?
The InChIKey is LPPVHQIKORDGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-6-11-8(9(10)12-14)7-4-2-3-5-13(6)7/h14H,2-5H2,1H3,(H2,10,12).
What are the key properties of N'-hydroxy-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboximidamide?
N'-hydroxy-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboximidamide has a molecular weight of 194.24 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboximidamide is sourced from PubChem (CID 83878925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).