N-(2H-tetrazol-5-ylmethyl)-3,4-dihydro-2H-chromene-4-carboxamide

C12H13N5O2 — CID 63708848

IUPACN-(2H-tetrazol-5-ylmethyl)-3,4-dihydro-2H-chromene-4-carboxamide
SMILESO=C(NCc1nn[nH]n1)C1CCOc2ccccc21
InChIInChI=1S/C12H13N5O2/c18-12(13-7-11-14-16-17-15-11)9-5-6-19-10-4-2-1-3-8(9)10/h1-4,9H,5-7H2,(H,13,18)(H,14,15,16,17)
InChIKeyYXUZNRZEQNOIND-UHFFFAOYSA-N
MW259.27 g/mol
LogP0.38
Rot. Bonds3

About N-(2H-tetrazol-5-ylmethyl)-3,4-dihydro-2H-chromene-4-carboxamide

N-(2H-tetrazol-5-ylmethyl)-3,4-dihydro-2H-chromene-4-carboxamide (PubChem CID 63708848) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is N-(2H-tetrazol-5-ylmethyl)-3,4-dihydro-2H-chromene-4-carboxamide.

Molecular Properties

Compound NameN-(2H-tetrazol-5-ylmethyl)-3,4-dihydro-2H-chromene-4-carboxamide
PubChem CID63708848
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC NameN-(2H-tetrazol-5-ylmethyl)-3,4-dihydro-2H-chromene-4-carboxamide
SMILESO=C(NCc1nn[nH]n1)C1CCOc2ccccc21
InChIInChI=1S/C12H13N5O2/c18-12(13-7-11-14-16-17-15-11)9-5-6-19-10-4-2-1-3-8(9)10/h1-4,9H,5-7H2,(H,13,18)(H,14,15,16,17)
InChIKeyYXUZNRZEQNOIND-UHFFFAOYSA-N
XLogP0.38
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chlorophenyl)methyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 110648124
N-[(4-aminophenyl)methyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 63710270
N-(2-aminoethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 63710623
N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 103512642
(2S)-3-(3,4-dihydro-2H-chromene-4-carbonylamino)-2-hydroxypropanoic acid
CID 107833282
N-(2-phenylethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 110648358
N-[(2S)-2-hydroxypropyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 83030362
N-(3,3-dimethyl-2-oxobutyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 64992086
N-(2-cyanoethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 63708655
N-[3-(methylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 63709735
(2R)-3-[[(4S)-3,4-dihydro-2H-chromene-4-carbonyl]amino]-2-methylpropanoic acid
CID 124556466
N-[2-(2-methylprop-2-enoxy)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 115700275

Frequently Asked Questions

What is the IUPAC name of N-(2H-tetrazol-5-ylmethyl)-3,4-dihydro-2H-chromene-4-carboxamide?
The IUPAC name of N-(2H-tetrazol-5-ylmethyl)-3,4-dihydro-2H-chromene-4-carboxamide (CID 63708848) is N-(2H-tetrazol-5-ylmethyl)-3,4-dihydro-2H-chromene-4-carboxamide.
What is the SMILES notation for N-(2H-tetrazol-5-ylmethyl)-3,4-dihydro-2H-chromene-4-carboxamide?
The canonical SMILES for N-(2H-tetrazol-5-ylmethyl)-3,4-dihydro-2H-chromene-4-carboxamide is O=C(NCc1nn[nH]n1)C1CCOc2ccccc21.
What is the InChIKey of N-(2H-tetrazol-5-ylmethyl)-3,4-dihydro-2H-chromene-4-carboxamide?
The InChIKey is YXUZNRZEQNOIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c18-12(13-7-11-14-16-17-15-11)9-5-6-19-10-4-2-1-3-8(9)10/h1-4,9H,5-7H2,(H,13,18)(H,14,15,16,17).
What are the key properties of N-(2H-tetrazol-5-ylmethyl)-3,4-dihydro-2H-chromene-4-carboxamide?
N-(2H-tetrazol-5-ylmethyl)-3,4-dihydro-2H-chromene-4-carboxamide has a molecular weight of 259.27 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-tetrazol-5-ylmethyl)-3,4-dihydro-2H-chromene-4-carboxamide is sourced from PubChem (CID 63708848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).