[1-(difluoromethyl)-5-methylpyrrol-2-yl]-[2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone

C12H14F2N6O2 — CID 157012718

IUPAC[1-(difluoromethyl)-5-methylpyrrol-2-yl]-[2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone
SMILESCc1ccc(C(=O)N2CCOC(c3nn[nH]n3)C2)n1C(F)F
InChIInChI=1S/C12H14F2N6O2/c1-7-2-3-8(20(7)12(13)14)11(21)19-4-5-22-9(6-19)10-15-17-18-16-10/h2-3,9,12H,4-6H2,1H3,(H,15,16,17,18)
InChIKeyNHXKCQVXADYEBA-UHFFFAOYSA-N
MW312.28 g/mol
LogP0.92
Rot. Bonds3

About [1-(difluoromethyl)-5-methylpyrrol-2-yl]-[2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone

[1-(difluoromethyl)-5-methylpyrrol-2-yl]-[2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone (PubChem CID 157012718) has the molecular formula C12H14F2N6O2 and a molecular weight of 312.28 g/mol. Its IUPAC name is [1-(difluoromethyl)-5-methylpyrrol-2-yl]-[2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[1-(difluoromethyl)-5-methylpyrrol-2-yl]-[2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone
PubChem CID157012718
Molecular FormulaC12H14F2N6O2
Molecular Weight312.28 g/mol
Exact Mass312.11
IUPAC Name[1-(difluoromethyl)-5-methylpyrrol-2-yl]-[2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone
SMILESCc1ccc(C(=O)N2CCOC(c3nn[nH]n3)C2)n1C(F)F
InChIInChI=1S/C12H14F2N6O2/c1-7-2-3-8(20(7)12(13)14)11(21)19-4-5-22-9(6-19)10-15-17-18-16-10/h2-3,9,12H,4-6H2,1H3,(H,15,16,17,18)
InChIKeyNHXKCQVXADYEBA-UHFFFAOYSA-N
XLogP0.92
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(7-fluoro-3-methyl-1H-indol-2-yl)-[2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone
CID 157018576
pyrazolo[1,5-a]pyridin-5-yl-[2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone
CID 165418573
3,4-difluoro-N-[2-oxo-2-[2-(2H-tetrazol-5-yl)morpholin-4-yl]ethyl]benzamide
CID 166219169
(2,2-dimethylcyclobutyl)-[2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone
CID 166244194
6-cyclopentyl-2-methoxy-3-[2-(2H-tetrazol-5-yl)morpholine-4-carbonyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 157013025
(4-fluorophenyl)-[(2R)-2-pyridin-2-ylmorpholin-4-yl]methanone
CID 95844813
[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-pyrrol-2-yl)methanone
CID 124607635
methyl 4-[2-(2H-tetrazol-5-yl)morpholin-4-yl]pyrimidine-5-carboxylate
CID 164692154
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 124993182
[2-(1-aminoethyl)morpholin-4-yl]-[1-(2,2-difluoroethyl)pyrrol-2-yl]methanone
CID 114610612
[2-(4-methylphenyl)morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone
CID 121134787
(1-methylimidazol-2-yl)-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methanone
CID 157014614

Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethyl)-5-methylpyrrol-2-yl]-[2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone?
The IUPAC name of [1-(difluoromethyl)-5-methylpyrrol-2-yl]-[2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone (CID 157012718) is [1-(difluoromethyl)-5-methylpyrrol-2-yl]-[2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone.
What is the SMILES notation for [1-(difluoromethyl)-5-methylpyrrol-2-yl]-[2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone?
The canonical SMILES for [1-(difluoromethyl)-5-methylpyrrol-2-yl]-[2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone is Cc1ccc(C(=O)N2CCOC(c3nn[nH]n3)C2)n1C(F)F.
What is the InChIKey of [1-(difluoromethyl)-5-methylpyrrol-2-yl]-[2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone?
The InChIKey is NHXKCQVXADYEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N6O2/c1-7-2-3-8(20(7)12(13)14)11(21)19-4-5-22-9(6-19)10-15-17-18-16-10/h2-3,9,12H,4-6H2,1H3,(H,15,16,17,18).
What are the key properties of [1-(difluoromethyl)-5-methylpyrrol-2-yl]-[2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone?
[1-(difluoromethyl)-5-methylpyrrol-2-yl]-[2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone has a molecular weight of 312.28 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethyl)-5-methylpyrrol-2-yl]-[2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 157012718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).