3-(methylamino)-4-oxo-N-(2H-tetrazol-5-yl)chromene-2-carboxamide

C12H10N6O3 — CID 90673458

IUPAC3-(methylamino)-4-oxo-N-(2H-tetrazol-5-yl)chromene-2-carboxamide
SMILESCNc1c(C(=O)Nc2nn[nH]n2)oc2ccccc2c1=O
InChIInChI=1S/C12H10N6O3/c1-13-8-9(19)6-4-2-3-5-7(6)21-10(8)11(20)14-12-15-17-18-16-12/h2-5,13H,1H3,(H2,14,15,16,17,18,20)
InChIKeyTUGPCMWLHJCNRZ-UHFFFAOYSA-N
MW286.25 g/mol
LogP0.60
Rot. Bonds3

About 3-(methylamino)-4-oxo-N-(2H-tetrazol-5-yl)chromene-2-carboxamide

3-(methylamino)-4-oxo-N-(2H-tetrazol-5-yl)chromene-2-carboxamide (PubChem CID 90673458) has the molecular formula C12H10N6O3 and a molecular weight of 286.25 g/mol. Its IUPAC name is 3-(methylamino)-4-oxo-N-(2H-tetrazol-5-yl)chromene-2-carboxamide.

Molecular Properties

Compound Name3-(methylamino)-4-oxo-N-(2H-tetrazol-5-yl)chromene-2-carboxamide
PubChem CID90673458
Molecular FormulaC12H10N6O3
Molecular Weight286.25 g/mol
Exact Mass286.08
IUPAC Name3-(methylamino)-4-oxo-N-(2H-tetrazol-5-yl)chromene-2-carboxamide
SMILESCNc1c(C(=O)Nc2nn[nH]n2)oc2ccccc2c1=O
InChIInChI=1S/C12H10N6O3/c1-13-8-9(19)6-4-2-3-5-7(6)21-10(8)11(20)14-12-15-17-18-16-12/h2-5,13H,1H3,(H2,14,15,16,17,18,20)
InChIKeyTUGPCMWLHJCNRZ-UHFFFAOYSA-N
XLogP0.60
TPSA125.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 70353158
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CID 3402764
N-(2H-tetrazol-5-yl)naphthalene-1-carboxamide
CID 5100620
9-oxo-N-(2H-tetrazol-5-yl)xanthene-2-sulfonamide
CID 6102777
3-chloro-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 2851499
7-phenyl-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide
CID 70353187
3-[(dimethylamino)methyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide
CID 71990798
3-cyclooctyloxy-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide
CID 11246122
CID 70476554
CID 70476554
4-oxo-N-(2H-tetrazol-5-yl)-1H-1,8-naphthyridine-3-carboxamide
CID 22160545
3-(butanoylamino)-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 7117000
1-naphthalen-1-yl-3-(2H-tetrazol-5-yl)urea
CID 4657421

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-4-oxo-N-(2H-tetrazol-5-yl)chromene-2-carboxamide?
The IUPAC name of 3-(methylamino)-4-oxo-N-(2H-tetrazol-5-yl)chromene-2-carboxamide (CID 90673458) is 3-(methylamino)-4-oxo-N-(2H-tetrazol-5-yl)chromene-2-carboxamide.
What is the SMILES notation for 3-(methylamino)-4-oxo-N-(2H-tetrazol-5-yl)chromene-2-carboxamide?
The canonical SMILES for 3-(methylamino)-4-oxo-N-(2H-tetrazol-5-yl)chromene-2-carboxamide is CNc1c(C(=O)Nc2nn[nH]n2)oc2ccccc2c1=O.
What is the InChIKey of 3-(methylamino)-4-oxo-N-(2H-tetrazol-5-yl)chromene-2-carboxamide?
The InChIKey is TUGPCMWLHJCNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6O3/c1-13-8-9(19)6-4-2-3-5-7(6)21-10(8)11(20)14-12-15-17-18-16-12/h2-5,13H,1H3,(H2,14,15,16,17,18,20).
What are the key properties of 3-(methylamino)-4-oxo-N-(2H-tetrazol-5-yl)chromene-2-carboxamide?
3-(methylamino)-4-oxo-N-(2H-tetrazol-5-yl)chromene-2-carboxamide has a molecular weight of 286.25 g/mol, XLogP of 0.60, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-4-oxo-N-(2H-tetrazol-5-yl)chromene-2-carboxamide is sourced from PubChem (CID 90673458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).