[3-phenyl-1-(2H-tetrazol-5-yl)propyl]carbamic acid

C11H13N5O2 — CID 22626937

IUPAC[3-phenyl-1-(2H-tetrazol-5-yl)propyl]carbamic acid
SMILESO=C(O)NC(CCc1ccccc1)c1nn[nH]n1
InChIInChI=1S/C11H13N5O2/c17-11(18)12-9(10-13-15-16-14-10)7-6-8-4-2-1-3-5-8/h1-5,9,12H,6-7H2,(H,17,18)(H,13,14,15,16)
InChIKeyRYWDAFITLSGJIJ-UHFFFAOYSA-N
MW247.26 g/mol
LogP1.14
Rot. Bonds5

About [3-phenyl-1-(2H-tetrazol-5-yl)propyl]carbamic acid

[3-phenyl-1-(2H-tetrazol-5-yl)propyl]carbamic acid (PubChem CID 22626937) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is [3-phenyl-1-(2H-tetrazol-5-yl)propyl]carbamic acid.

Molecular Properties

Compound Name[3-phenyl-1-(2H-tetrazol-5-yl)propyl]carbamic acid
PubChem CID22626937
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name[3-phenyl-1-(2H-tetrazol-5-yl)propyl]carbamic acid
SMILESO=C(O)NC(CCc1ccccc1)c1nn[nH]n1
InChIInChI=1S/C11H13N5O2/c17-11(18)12-9(10-13-15-16-14-10)7-6-8-4-2-1-3-5-8/h1-5,9,12H,6-7H2,(H,17,18)(H,13,14,15,16)
InChIKeyRYWDAFITLSGJIJ-UHFFFAOYSA-N
XLogP1.14
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R)-2-phenylmethoxy-1-(2H-tetrazol-5-yl)ethyl]carbamic acid
CID 118308786
(1R)-7-phenyl-1-(2H-tetrazol-5-yl)heptan-1-ol
CID 124566909
[3-methyl-1-(2H-tetrazol-5-yl)butyl]carbamic acid
CID 19938437
2-phenylsulfanyl-N-[1-(2H-tetrazol-5-yl)butyl]butanamide
CID 166237134
3-(2-aminophenyl)-N-[1-(2H-tetrazol-5-yl)butyl]propanamide;hydrochloride
CID 120611610
1-[(1S,5R)-6-bromo-3-azabicyclo[3.1.0]hexan-3-yl]-4-phenyl-2-(2H-tetrazol-5-yl)butan-1-one
CID 166311911
3-phenyl-3-(2H-tetrazol-5-yl)propanoic acid
CID 82127283
N-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]propan-2-amine
CID 123160214
6-hydroxy-2-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]hexanoic acid
CID 123390760
N-[(1R)-1-(2H-tetrazol-5-yl)butyl]-1-benzofuran-2-carboxamide
CID 97184162
2-phenyl-2-(2H-tetrazol-5-yl)acetic acid
CID 54210664
3-(3-methylphenyl)-N-phenyl-2-(2H-tetrazol-5-yl)propanamide
CID 3170996

Frequently Asked Questions

What is the IUPAC name of [3-phenyl-1-(2H-tetrazol-5-yl)propyl]carbamic acid?
The IUPAC name of [3-phenyl-1-(2H-tetrazol-5-yl)propyl]carbamic acid (CID 22626937) is [3-phenyl-1-(2H-tetrazol-5-yl)propyl]carbamic acid.
What is the SMILES notation for [3-phenyl-1-(2H-tetrazol-5-yl)propyl]carbamic acid?
The canonical SMILES for [3-phenyl-1-(2H-tetrazol-5-yl)propyl]carbamic acid is O=C(O)NC(CCc1ccccc1)c1nn[nH]n1.
What is the InChIKey of [3-phenyl-1-(2H-tetrazol-5-yl)propyl]carbamic acid?
The InChIKey is RYWDAFITLSGJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c17-11(18)12-9(10-13-15-16-14-10)7-6-8-4-2-1-3-5-8/h1-5,9,12H,6-7H2,(H,17,18)(H,13,14,15,16).
What are the key properties of [3-phenyl-1-(2H-tetrazol-5-yl)propyl]carbamic acid?
[3-phenyl-1-(2H-tetrazol-5-yl)propyl]carbamic acid has a molecular weight of 247.26 g/mol, XLogP of 1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-phenyl-1-(2H-tetrazol-5-yl)propyl]carbamic acid is sourced from PubChem (CID 22626937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).