N-[3-methyl-4-(tetrazol-1-yl)phenyl]formamide

C9H9N5O — CID 64992502

IUPACN-[3-methyl-4-(tetrazol-1-yl)phenyl]formamide
SMILESCc1cc(NC=O)ccc1-n1cnnn1
InChIInChI=1S/C9H9N5O/c1-7-4-8(10-6-15)2-3-9(7)14-5-11-12-13-14/h2-6H,1H3,(H,10,15)
InChIKeyODLCDFNTPBZBMV-UHFFFAOYSA-N
MW203.21 g/mol
LogP0.54
Rot. Bonds3

About N-[3-methyl-4-(tetrazol-1-yl)phenyl]formamide

N-[3-methyl-4-(tetrazol-1-yl)phenyl]formamide (PubChem CID 64992502) has the molecular formula C9H9N5O and a molecular weight of 203.21 g/mol. Its IUPAC name is N-[3-methyl-4-(tetrazol-1-yl)phenyl]formamide.

Molecular Properties

Compound NameN-[3-methyl-4-(tetrazol-1-yl)phenyl]formamide
PubChem CID64992502
Molecular FormulaC9H9N5O
Molecular Weight203.21 g/mol
Exact Mass203.08
IUPAC NameN-[3-methyl-4-(tetrazol-1-yl)phenyl]formamide
SMILESCc1cc(NC=O)ccc1-n1cnnn1
InChIInChI=1S/C9H9N5O/c1-7-4-8(10-6-15)2-3-9(7)14-5-11-12-13-14/h2-6H,1H3,(H,10,15)
InChIKeyODLCDFNTPBZBMV-UHFFFAOYSA-N
XLogP0.54
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 50.54
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

N-ethyl-3-methyl-4-(tetrazol-1-yl)aniline
CID 43732922
N-[3-methyl-4-(tetrazol-1-yl)phenyl]but-2-enamide
CID 112725296
3-methyl-N-(3-methylbutan-2-yl)-4-(tetrazol-1-yl)aniline
CID 43732899
2,2-dimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
CID 36723262
(E)-4-[3-methyl-4-(tetrazol-1-yl)anilino]-4-oxobut-2-enoic acid
CID 60940580
N-[4-(tetrazol-1-yl)phenyl]formamide
CID 64992133
2-amino-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide
CID 43713144
2-methyl-2-(methylamino)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
CID 62847424
N-heptyl-3-methyl-4-(tetrazol-1-yl)aniline
CID 43732890
3-methyl-4-(tetrazol-1-yl)benzoic acid
CID 16775489
3-methyl-N-(2-phenylethyl)-4-(tetrazol-1-yl)aniline
CID 43732867
N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-2-carboxamide
CID 858850

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(tetrazol-1-yl)phenyl]formamide?
The IUPAC name of N-[3-methyl-4-(tetrazol-1-yl)phenyl]formamide (CID 64992502) is N-[3-methyl-4-(tetrazol-1-yl)phenyl]formamide.
What is the SMILES notation for N-[3-methyl-4-(tetrazol-1-yl)phenyl]formamide?
The canonical SMILES for N-[3-methyl-4-(tetrazol-1-yl)phenyl]formamide is Cc1cc(NC=O)ccc1-n1cnnn1.
What is the InChIKey of N-[3-methyl-4-(tetrazol-1-yl)phenyl]formamide?
The InChIKey is ODLCDFNTPBZBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O/c1-7-4-8(10-6-15)2-3-9(7)14-5-11-12-13-14/h2-6H,1H3,(H,10,15).
What are the key properties of N-[3-methyl-4-(tetrazol-1-yl)phenyl]formamide?
N-[3-methyl-4-(tetrazol-1-yl)phenyl]formamide has a molecular weight of 203.21 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(tetrazol-1-yl)phenyl]formamide is sourced from PubChem (CID 64992502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).