N-[4-(tetrazol-1-yl)phenyl]formamide

C8H7N5O — CID 64992133

IUPACN-[4-(tetrazol-1-yl)phenyl]formamide
SMILESO=CNc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C8H7N5O/c14-6-9-7-1-3-8(4-2-7)13-5-10-11-12-13/h1-6H,(H,9,14)
InChIKeyXLOMPRMWTJQRMK-UHFFFAOYSA-N
MW189.18 g/mol
LogP0.23
Rot. Bonds3

About N-[4-(tetrazol-1-yl)phenyl]formamide

N-[4-(tetrazol-1-yl)phenyl]formamide (PubChem CID 64992133) has the molecular formula C8H7N5O and a molecular weight of 189.18 g/mol. Its IUPAC name is N-[4-(tetrazol-1-yl)phenyl]formamide.

Molecular Properties

Compound NameN-[4-(tetrazol-1-yl)phenyl]formamide
PubChem CID64992133
Molecular FormulaC8H7N5O
Molecular Weight189.18 g/mol
Exact Mass189.07
IUPAC NameN-[4-(tetrazol-1-yl)phenyl]formamide
SMILESO=CNc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C8H7N5O/c14-6-9-7-1-3-8(4-2-7)13-5-10-11-12-13/h1-6H,(H,9,14)
InChIKeyXLOMPRMWTJQRMK-UHFFFAOYSA-N
XLogP0.23
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-(tetrazol-1-yl)benzaldehyde
CID 55266152
N-[3-methyl-4-(tetrazol-1-yl)phenyl]formamide
CID 64992502
2-(cyclopropylmethylamino)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 61261084
1-(4-fluorophenyl)tetrazole
CID 825628
4-(tetrazol-1-yl)phenolate
CID 101371881
5-bromo-N-[4-(tetrazol-1-yl)phenyl]pentanamide
CID 114014593
N-[4-(4-cyano-3-methylpyrazol-1-yl)phenyl]formamide
CID 12522114
N-(2-methylpropyl)-4-(tetrazol-1-yl)aniline
CID 28621711
N-[4-(tetrazol-1-yl)phenyl]hexanamide
CID 18083677
2,3-dimethyl-4-oxo-4-[4-(tetrazol-1-yl)anilino]but-2-enoic acid
CID 76991541
4-iodo-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729235
N-[4-(tetrazol-1-yl)phenyl]but-2-ynamide
CID 126851029

Frequently Asked Questions

What is the IUPAC name of N-[4-(tetrazol-1-yl)phenyl]formamide?
The IUPAC name of N-[4-(tetrazol-1-yl)phenyl]formamide (CID 64992133) is N-[4-(tetrazol-1-yl)phenyl]formamide.
What is the SMILES notation for N-[4-(tetrazol-1-yl)phenyl]formamide?
The canonical SMILES for N-[4-(tetrazol-1-yl)phenyl]formamide is O=CNc1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-[4-(tetrazol-1-yl)phenyl]formamide?
The InChIKey is XLOMPRMWTJQRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O/c14-6-9-7-1-3-8(4-2-7)13-5-10-11-12-13/h1-6H,(H,9,14).
What are the key properties of N-[4-(tetrazol-1-yl)phenyl]formamide?
N-[4-(tetrazol-1-yl)phenyl]formamide has a molecular weight of 189.18 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(tetrazol-1-yl)phenyl]formamide is sourced from PubChem (CID 64992133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).