N-(2H-tetrazol-5-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide

C12H14N6O — CID 106901428

IUPACN-(2H-tetrazol-5-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESO=C(NCc1nn[nH]n1)C1CNc2ccccc2C1
InChIInChI=1S/C12H14N6O/c19-12(14-7-11-15-17-18-16-11)9-5-8-3-1-2-4-10(8)13-6-9/h1-4,9,13H,5-7H2,(H,14,19)(H,15,16,17,18)
InChIKeyRDAJWWJLZWIQNN-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.10
Rot. Bonds3

About N-(2H-tetrazol-5-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide

N-(2H-tetrazol-5-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide (PubChem CID 106901428) has the molecular formula C12H14N6O and a molecular weight of 258.28 g/mol. Its IUPAC name is N-(2H-tetrazol-5-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2H-tetrazol-5-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
PubChem CID106901428
Molecular FormulaC12H14N6O
Molecular Weight258.28 g/mol
Exact Mass258.12
IUPAC NameN-(2H-tetrazol-5-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESO=C(NCc1nn[nH]n1)C1CNc2ccccc2C1
InChIInChI=1S/C12H14N6O/c19-12(14-7-11-15-17-18-16-11)9-5-8-3-1-2-4-10(8)13-6-9/h1-4,9,13H,5-7H2,(H,14,19)(H,15,16,17,18)
InChIKeyRDAJWWJLZWIQNN-UHFFFAOYSA-N
XLogP0.10
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-oxo-N-(2H-tetrazol-5-ylmethyl)pyrrolidine-3-carboxamide
CID 78954241
N-(2-hydroxyethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901213
N-(thiophen-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901469
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901391
N-[(4-methylthiophen-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901620
N-pyridazin-3-yl-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901781
N-(2-cyclobutylethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901730
N-[(4-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106135423
N-pent-3-ynyl-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901779
N-(5,5,5-trifluoropentyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 115519993
N-(3-hydroxypentyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901745
(3S)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 34181194

Frequently Asked Questions

What is the IUPAC name of N-(2H-tetrazol-5-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-(2H-tetrazol-5-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide (CID 106901428) is N-(2H-tetrazol-5-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-(2H-tetrazol-5-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-(2H-tetrazol-5-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide is O=C(NCc1nn[nH]n1)C1CNc2ccccc2C1.
What is the InChIKey of N-(2H-tetrazol-5-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The InChIKey is RDAJWWJLZWIQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O/c19-12(14-7-11-15-17-18-16-11)9-5-8-3-1-2-4-10(8)13-6-9/h1-4,9,13H,5-7H2,(H,14,19)(H,15,16,17,18).
What are the key properties of N-(2H-tetrazol-5-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
N-(2H-tetrazol-5-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-tetrazol-5-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 106901428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).