pyrrolidin-1-yl-[3-(2H-tetrazol-5-ylamino)phenyl]methanone

C12H14N6O — CID 155954252

IUPACpyrrolidin-1-yl-[3-(2H-tetrazol-5-ylamino)phenyl]methanone
SMILESO=C(c1cccc(Nc2nn[nH]n2)c1)N1CCCC1
InChIInChI=1S/C12H14N6O/c19-11(18-6-1-2-7-18)9-4-3-5-10(8-9)13-12-14-16-17-15-12/h3-5,8H,1-2,6-7H2,(H2,13,14,15,16,17)
InChIKeyIQIBHLMESIDPMJ-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.18
Rot. Bonds3

About pyrrolidin-1-yl-[3-(2H-tetrazol-5-ylamino)phenyl]methanone

pyrrolidin-1-yl-[3-(2H-tetrazol-5-ylamino)phenyl]methanone (PubChem CID 155954252) has the molecular formula C12H14N6O and a molecular weight of 258.28 g/mol. Its IUPAC name is pyrrolidin-1-yl-[3-(2H-tetrazol-5-ylamino)phenyl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[3-(2H-tetrazol-5-ylamino)phenyl]methanone
PubChem CID155954252
Molecular FormulaC12H14N6O
Molecular Weight258.28 g/mol
Exact Mass258.12
IUPAC Namepyrrolidin-1-yl-[3-(2H-tetrazol-5-ylamino)phenyl]methanone
SMILESO=C(c1cccc(Nc2nn[nH]n2)c1)N1CCCC1
InChIInChI=1S/C12H14N6O/c19-11(18-6-1-2-7-18)9-4-3-5-10(8-9)13-12-14-16-17-15-12/h3-5,8H,1-2,6-7H2,(H2,13,14,15,16,17)
InChIKeyIQIBHLMESIDPMJ-UHFFFAOYSA-N
XLogP1.18
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,4-difluorophenyl)piperidin-1-yl]-[3-(2H-tetrazol-5-ylamino)phenyl]methanone
CID 154850090
[3-[(6-phenylpyridazin-3-yl)amino]phenyl]-pyrrolidin-1-ylmethanone
CID 50778603
[3-(methylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 70790157
methyl 3-[[5-(pyrrolidine-1-carbonyl)pyrimidin-2-yl]amino]benzoate
CID 109249344
azepan-1-yl-[2-(3-bromoanilino)pyrimidin-5-yl]methanone
CID 109264922
N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-4-carboxamide
CID 25049788
[3-[[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]-pyrrolidin-1-ylmethanone
CID 170970809
[3-[(6-phenylpyrimidin-4-yl)amino]phenyl]-pyrrolidin-1-ylmethanone
CID 50783560
3-(azacyclotridecane-1-carbonyl)benzamide;benzene-1,3-dicarboxamide
CID 66718983
3-(azecane-1-carbonyl)benzamide
CID 66696565
(4-benzyl-1,4-diazepan-1-yl)-[3-(pyrimidin-2-ylamino)phenyl]methanone
CID 46605705
3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2H-tetrazol-5-yl)benzamide
CID 71700893

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[3-(2H-tetrazol-5-ylamino)phenyl]methanone?
The IUPAC name of pyrrolidin-1-yl-[3-(2H-tetrazol-5-ylamino)phenyl]methanone (CID 155954252) is pyrrolidin-1-yl-[3-(2H-tetrazol-5-ylamino)phenyl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[3-(2H-tetrazol-5-ylamino)phenyl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[3-(2H-tetrazol-5-ylamino)phenyl]methanone is O=C(c1cccc(Nc2nn[nH]n2)c1)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl-[3-(2H-tetrazol-5-ylamino)phenyl]methanone?
The InChIKey is IQIBHLMESIDPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O/c19-11(18-6-1-2-7-18)9-4-3-5-10(8-9)13-12-14-16-17-15-12/h3-5,8H,1-2,6-7H2,(H2,13,14,15,16,17).
What are the key properties of pyrrolidin-1-yl-[3-(2H-tetrazol-5-ylamino)phenyl]methanone?
pyrrolidin-1-yl-[3-(2H-tetrazol-5-ylamino)phenyl]methanone has a molecular weight of 258.28 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[3-(2H-tetrazol-5-ylamino)phenyl]methanone is sourced from PubChem (CID 155954252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).