(4-methylphenyl)methyl-(2H-tetrazol-5-yl)azanide

C9H10N5- — CID 135714570

IUPAC(4-methylphenyl)methyl-(2H-tetrazol-5-yl)azanide
SMILESCc1ccc(C[N-]c2nn[nH]n2)cc1
InChIInChI=1S/C9H10N5/c1-7-2-4-8(5-3-7)6-10-9-11-13-14-12-9/h2-5H,6H2,1H3,(H-,10,11,12,13,14)/q-1
InChIKeyGFFNDIMKTRNDRC-UHFFFAOYSA-N
MW188.21 g/mol
LogP1.71
Rot. Bonds3

About (4-methylphenyl)methyl-(2H-tetrazol-5-yl)azanide

(4-methylphenyl)methyl-(2H-tetrazol-5-yl)azanide (PubChem CID 135714570) has the molecular formula C9H10N5- and a molecular weight of 188.21 g/mol. Its IUPAC name is (4-methylphenyl)methyl-(2H-tetrazol-5-yl)azanide.

Molecular Properties

Compound Name(4-methylphenyl)methyl-(2H-tetrazol-5-yl)azanide
PubChem CID135714570
Molecular FormulaC9H10N5-
Molecular Weight188.21 g/mol
Exact Mass188.09
IUPAC Name(4-methylphenyl)methyl-(2H-tetrazol-5-yl)azanide
SMILESCc1ccc(C[N-]c2nn[nH]n2)cc1
InChIInChI=1S/C9H10N5/c1-7-2-4-8(5-3-7)6-10-9-11-13-14-12-9/h2-5H,6H2,1H3,(H-,10,11,12,13,14)/q-1
InChIKeyGFFNDIMKTRNDRC-UHFFFAOYSA-N
XLogP1.71
TPSA68.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.21
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromophenyl)methyl-(2H-tetrazol-5-yl)azanide
CID 135591544
[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(2H-tetrazol-5-yl)azanide
CID 135789056
(3,4-diethoxyphenyl)methyl-(2H-tetrazol-5-yl)azanide
CID 135789050
(3-ethoxyphenyl)methyl-(2H-tetrazol-5-yl)azanide
CID 135789047
bis(2H-tetrazol-5-yl)azanide
CID 136738403
lithium (4-methylphenyl)-[(4-methylphenyl)methyl]azanide
CID 23716362
cesium methyl-[(4-methylphenyl)methyl]azanide
CID 144858406
5-(4-methylphenoxy)-2H-tetrazole
CID 5152789
5-[4-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]phenyl]-2H-tetrazole
CID 15279617
3-[4-[(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-1-(2H-tetrazol-5-yl)propane-1,2-dione
CID 69138709
1,4-bis[2-(4-methylphenyl)ethyl]benzene;fluoromethane
CID 91266439
1-fluoro-4-methylbenzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene
CID 144561335

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)methyl-(2H-tetrazol-5-yl)azanide?
The IUPAC name of (4-methylphenyl)methyl-(2H-tetrazol-5-yl)azanide (CID 135714570) is (4-methylphenyl)methyl-(2H-tetrazol-5-yl)azanide.
What is the SMILES notation for (4-methylphenyl)methyl-(2H-tetrazol-5-yl)azanide?
The canonical SMILES for (4-methylphenyl)methyl-(2H-tetrazol-5-yl)azanide is Cc1ccc(C[N-]c2nn[nH]n2)cc1.
What is the InChIKey of (4-methylphenyl)methyl-(2H-tetrazol-5-yl)azanide?
The InChIKey is GFFNDIMKTRNDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N5/c1-7-2-4-8(5-3-7)6-10-9-11-13-14-12-9/h2-5H,6H2,1H3,(H-,10,11,12,13,14)/q-1.
What are the key properties of (4-methylphenyl)methyl-(2H-tetrazol-5-yl)azanide?
(4-methylphenyl)methyl-(2H-tetrazol-5-yl)azanide has a molecular weight of 188.21 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)methyl-(2H-tetrazol-5-yl)azanide is sourced from PubChem (CID 135714570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).