N-[3-(2H-tetrazol-5-yl)phenyl]bicyclo[2.1.0]pentane-1-carboxamide

C13H13N5O — CID 167884555

IUPACN-[3-(2H-tetrazol-5-yl)phenyl]bicyclo[2.1.0]pentane-1-carboxamide
SMILESO=C(Nc1cccc(-c2nn[nH]n2)c1)C12CCC1C2
InChIInChI=1S/C13H13N5O/c19-12(13-5-4-9(13)7-13)14-10-3-1-2-8(6-10)11-15-17-18-16-11/h1-3,6,9H,4-5,7H2,(H,14,19)(H,15,16,17,18)
InChIKeyFAHUBCXCISIJLL-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.61
Rot. Bonds3

About N-[3-(2H-tetrazol-5-yl)phenyl]bicyclo[2.1.0]pentane-1-carboxamide

N-[3-(2H-tetrazol-5-yl)phenyl]bicyclo[2.1.0]pentane-1-carboxamide (PubChem CID 167884555) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is N-[3-(2H-tetrazol-5-yl)phenyl]bicyclo[2.1.0]pentane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(2H-tetrazol-5-yl)phenyl]bicyclo[2.1.0]pentane-1-carboxamide
PubChem CID167884555
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC NameN-[3-(2H-tetrazol-5-yl)phenyl]bicyclo[2.1.0]pentane-1-carboxamide
SMILESO=C(Nc1cccc(-c2nn[nH]n2)c1)C12CCC1C2
InChIInChI=1S/C13H13N5O/c19-12(13-5-4-9(13)7-13)14-10-3-1-2-8(6-10)11-15-17-18-16-11/h1-3,6,9H,4-5,7H2,(H,14,19)(H,15,16,17,18)
InChIKeyFAHUBCXCISIJLL-UHFFFAOYSA-N
XLogP1.61
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-hydroxycyclopentyl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
CID 111536432
2-(6-oxaspiro[3.5]nonan-7-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
CID 166253071
4-amino-3-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]oxolane-3-carboxamide
CID 66251010
2-[[3-(2H-tetrazol-5-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60941735
N-[3-(2H-tetrazol-5-yl)phenyl]piperidine-2-carboxamide
CID 43712968
ethyl N-[3-(2H-tetrazol-5-yl)phenyl]carbamate
CID 17164270
4-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide
CID 60842609
3-amino-2-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 55104793
3-bromo-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17126994
2-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 62639485
3,4-dichloro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17163668
3-(propan-2-ylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 60852912

Frequently Asked Questions

What is the IUPAC name of N-[3-(2H-tetrazol-5-yl)phenyl]bicyclo[2.1.0]pentane-1-carboxamide?
The IUPAC name of N-[3-(2H-tetrazol-5-yl)phenyl]bicyclo[2.1.0]pentane-1-carboxamide (CID 167884555) is N-[3-(2H-tetrazol-5-yl)phenyl]bicyclo[2.1.0]pentane-1-carboxamide.
What is the SMILES notation for N-[3-(2H-tetrazol-5-yl)phenyl]bicyclo[2.1.0]pentane-1-carboxamide?
The canonical SMILES for N-[3-(2H-tetrazol-5-yl)phenyl]bicyclo[2.1.0]pentane-1-carboxamide is O=C(Nc1cccc(-c2nn[nH]n2)c1)C12CCC1C2.
What is the InChIKey of N-[3-(2H-tetrazol-5-yl)phenyl]bicyclo[2.1.0]pentane-1-carboxamide?
The InChIKey is FAHUBCXCISIJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c19-12(13-5-4-9(13)7-13)14-10-3-1-2-8(6-10)11-15-17-18-16-11/h1-3,6,9H,4-5,7H2,(H,14,19)(H,15,16,17,18).
What are the key properties of N-[3-(2H-tetrazol-5-yl)phenyl]bicyclo[2.1.0]pentane-1-carboxamide?
N-[3-(2H-tetrazol-5-yl)phenyl]bicyclo[2.1.0]pentane-1-carboxamide has a molecular weight of 255.28 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2H-tetrazol-5-yl)phenyl]bicyclo[2.1.0]pentane-1-carboxamide is sourced from PubChem (CID 167884555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).