N,N-dimethyl-5-[(4-phenylphenyl)methyl]tetrazole-2-carboxamide

C17H17N5O — CID 24795576

IUPACN,N-dimethyl-5-[(4-phenylphenyl)methyl]tetrazole-2-carboxamide
SMILESCN(C)C(=O)n1nnc(Cc2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C17H17N5O/c1-21(2)17(23)22-19-16(18-20-22)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKeyVBVLSXPOMAONNK-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.46
Rot. Bonds3

About N,N-dimethyl-5-[(4-phenylphenyl)methyl]tetrazole-2-carboxamide

N,N-dimethyl-5-[(4-phenylphenyl)methyl]tetrazole-2-carboxamide (PubChem CID 24795576) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is N,N-dimethyl-5-[(4-phenylphenyl)methyl]tetrazole-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[(4-phenylphenyl)methyl]tetrazole-2-carboxamide
PubChem CID24795576
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC NameN,N-dimethyl-5-[(4-phenylphenyl)methyl]tetrazole-2-carboxamide
SMILESCN(C)C(=O)n1nnc(Cc2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C17H17N5O/c1-21(2)17(23)22-19-16(18-20-22)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKeyVBVLSXPOMAONNK-UHFFFAOYSA-N
XLogP2.46
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-5-[[(4-phenylbenzoyl)amino]methyl]tetrazole-2-carboxamide
CID 24795854
(5-benzyltetrazol-2-yl)methanol
CID 13081003
N,N-dimethyl-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 25282570
[5-[(4-methylphenyl)methyl]tetrazol-2-yl]methanol
CID 149167429
2-[5-[(4-methoxyphenyl)methyl]tetrazol-2-yl]acetic acid
CID 746025
2-[(4-phenylphenyl)methyl]-5-(2H-tetrazol-5-ylmethyl)tetrazole
CID 175731684
(3S)-3-(methylamino)-4-(4-phenylphenyl)butan-2-one
CID 59048252
5-benzyl-2-(1-phenylethyl)tetrazole
CID 143087598
4-[[2-[[4-(2-hydroxyacetyl)phenyl]methyl]tetrazol-5-yl]methyl]benzoic acid
CID 162138087
N,N-dimethyl-5-[[(4-phenylbenzoyl)amino]methyl]tetrazole-1-carboxamide
CID 24795719
4-[(2-ethyltetrazol-5-yl)methyl]phenol
CID 68649637
4-[(5-benzyltetrazol-2-yl)methyl]-1-methylpyridin-2-one
CID 155960924

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[(4-phenylphenyl)methyl]tetrazole-2-carboxamide?
The IUPAC name of N,N-dimethyl-5-[(4-phenylphenyl)methyl]tetrazole-2-carboxamide (CID 24795576) is N,N-dimethyl-5-[(4-phenylphenyl)methyl]tetrazole-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-[(4-phenylphenyl)methyl]tetrazole-2-carboxamide?
The canonical SMILES for N,N-dimethyl-5-[(4-phenylphenyl)methyl]tetrazole-2-carboxamide is CN(C)C(=O)n1nnc(Cc2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of N,N-dimethyl-5-[(4-phenylphenyl)methyl]tetrazole-2-carboxamide?
The InChIKey is VBVLSXPOMAONNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-21(2)17(23)22-19-16(18-20-22)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3.
What are the key properties of N,N-dimethyl-5-[(4-phenylphenyl)methyl]tetrazole-2-carboxamide?
N,N-dimethyl-5-[(4-phenylphenyl)methyl]tetrazole-2-carboxamide has a molecular weight of 307.36 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[(4-phenylphenyl)methyl]tetrazole-2-carboxamide is sourced from PubChem (CID 24795576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).