trans-(1R,2R)-N,N-dimethyl-2-[3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide

C13H15N5O — CID 166311782

IUPACtrans-(1R,2R)-N,N-dimethyl-2-[3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
SMILESCN(C)C(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C13H15N5O/c1-18(2)13(19)11-7-10(11)8-4-3-5-9(6-8)12-14-16-17-15-12/h3-6,10-11H,7H2,1-2H3,(H,14,15,16,17)/t10-,11+/m0/s1
InChIKeyXGVZTGHRETYTHB-WDEREUQCSA-N
MW257.30 g/mol
LogP1.06
Rot. Bonds3

About trans-(1R,2R)-N,N-dimethyl-2-[3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide

trans-(1R,2R)-N,N-dimethyl-2-[3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide (PubChem CID 166311782) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is trans-(1R,2R)-N,N-dimethyl-2-[3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N,N-dimethyl-2-[3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
PubChem CID166311782
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Nametrans-(1R,2R)-N,N-dimethyl-2-[3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
SMILESCN(C)C(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C13H15N5O/c1-18(2)13(19)11-7-10(11)8-4-3-5-9(6-8)12-14-16-17-15-12/h3-6,10-11H,7H2,1-2H3,(H,14,15,16,17)/t10-,11+/m0/s1
InChIKeyXGVZTGHRETYTHB-WDEREUQCSA-N
XLogP1.06
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(2H-tetrazol-5-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60941735
trans-(1R,2R)-2-(3-methoxyphenyl)-N-methyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]cyclopropane-1-carboxamide
CID 129437157
2-(4-fluorophenyl)-3-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methylamino]-N,N-dimethylcyclopentane-1-carboxamide
CID 70347184
3-[methyl-[3-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid
CID 60989086
N-cyclopropyl-N-(2-hydroxyethyl)-3-(2H-tetrazol-5-yl)benzamide
CID 43576735
trans-(1S,2S)-2-(3-fluorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide
CID 95568794
cis-(1R,2S)-2-(3-fluorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide
CID 95568796
2,2-dimethyl-3-[3-(2H-tetrazol-5-yl)anilino]cyclobutan-1-ol
CID 112633643
2-[ethyl-[3-(2H-tetrazol-5-yl)benzoyl]amino]acetic acid
CID 61021113
propan-2-yl 3-(2H-tetrazol-5-yl)benzoate
CID 7130725
5-(3-tert-butylphenyl)-2H-tetrazole
CID 22972916
2-(benzotriazol-2-yl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]acetamide
CID 91785545

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N,N-dimethyl-2-[3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N,N-dimethyl-2-[3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide (CID 166311782) is trans-(1R,2R)-N,N-dimethyl-2-[3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N,N-dimethyl-2-[3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N,N-dimethyl-2-[3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide is CN(C)C(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of trans-(1R,2R)-N,N-dimethyl-2-[3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is XGVZTGHRETYTHB-WDEREUQCSA-N. The full InChI is InChI=1S/C13H15N5O/c1-18(2)13(19)11-7-10(11)8-4-3-5-9(6-8)12-14-16-17-15-12/h3-6,10-11H,7H2,1-2H3,(H,14,15,16,17)/t10-,11+/m0/s1.
What are the key properties of trans-(1R,2R)-N,N-dimethyl-2-[3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide?
trans-(1R,2R)-N,N-dimethyl-2-[3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 257.30 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N,N-dimethyl-2-[3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 166311782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).