N-[2-(2H-triazol-4-ylsulfanyl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide

C11H15N7OS — CID 70769656

IUPACN-[2-(2H-triazol-4-ylsulfanyl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
SMILESO=C(NCCSc1cn[nH]n1)C1NCCc2[nH]cnc21
InChIInChI=1S/C11H15N7OS/c19-11(13-3-4-20-8-5-16-18-17-8)10-9-7(1-2-12-10)14-6-15-9/h5-6,10,12H,1-4H2,(H,13,19)(H,14,15)(H,16,17,18)
InChIKeyRJTOYRFKMZRTCW-UHFFFAOYSA-N
MW293.36 g/mol
LogP-0.38
Rot. Bonds5

About N-[2-(2H-triazol-4-ylsulfanyl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide

N-[2-(2H-triazol-4-ylsulfanyl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide (PubChem CID 70769656) has the molecular formula C11H15N7OS and a molecular weight of 293.36 g/mol. Its IUPAC name is N-[2-(2H-triazol-4-ylsulfanyl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2H-triazol-4-ylsulfanyl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
PubChem CID70769656
Molecular FormulaC11H15N7OS
Molecular Weight293.36 g/mol
Exact Mass293.11
IUPAC NameN-[2-(2H-triazol-4-ylsulfanyl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
SMILESO=C(NCCSc1cn[nH]n1)C1NCCc2[nH]cnc21
InChIInChI=1S/C11H15N7OS/c19-11(13-3-4-20-8-5-16-18-17-8)10-9-7(1-2-12-10)14-6-15-9/h5-6,10,12H,1-4H2,(H,13,19)(H,14,15)(H,16,17,18)
InChIKeyRJTOYRFKMZRTCW-UHFFFAOYSA-N
XLogP-0.38
TPSA111.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 5-0.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4S)-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 95872075
(4S)-N-(3,3-diphenylpropyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 125445481
(4R)-N-(2-phenoxyethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 95893769
(4R)-N-(3-cyclohexyloxypropyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 95868430
N-[3-[(3-methylphenyl)methylsulfanyl]propyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 70785667
(4R)-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 95893801
(4S)-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 95871408
(4S)-N-[3-(2-ethylimidazol-1-yl)propyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 125437460
(4R)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 95866555
N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 70724211
(4S)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 95862076
N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 70751357

Frequently Asked Questions

What is the IUPAC name of N-[2-(2H-triazol-4-ylsulfanyl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
The IUPAC name of N-[2-(2H-triazol-4-ylsulfanyl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide (CID 70769656) is N-[2-(2H-triazol-4-ylsulfanyl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(2H-triazol-4-ylsulfanyl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(2H-triazol-4-ylsulfanyl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide is O=C(NCCSc1cn[nH]n1)C1NCCc2[nH]cnc21.
What is the InChIKey of N-[2-(2H-triazol-4-ylsulfanyl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
The InChIKey is RJTOYRFKMZRTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7OS/c19-11(13-3-4-20-8-5-16-18-17-8)10-9-7(1-2-12-10)14-6-15-9/h5-6,10,12H,1-4H2,(H,13,19)(H,14,15)(H,16,17,18).
What are the key properties of N-[2-(2H-triazol-4-ylsulfanyl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
N-[2-(2H-triazol-4-ylsulfanyl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide has a molecular weight of 293.36 g/mol, XLogP of -0.38, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2H-triazol-4-ylsulfanyl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide is sourced from PubChem (CID 70769656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).