N-[(2-methylphenyl)methyl]-2H-tetrazol-5-amine

C9H11N5 — CID 4727778

IUPACN-[(2-methylphenyl)methyl]-2H-tetrazol-5-amine
SMILESCc1ccccc1CNc1nn[nH]n1
InChIInChI=1S/C9H11N5/c1-7-4-2-3-5-8(7)6-10-9-11-13-14-12-9/h2-5H,6H2,1H3,(H2,10,11,12,13,14)
InChIKeyXHIGRGYSKLCXAF-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.12
Rot. Bonds3

About N-[(2-methylphenyl)methyl]-2H-tetrazol-5-amine

N-[(2-methylphenyl)methyl]-2H-tetrazol-5-amine (PubChem CID 4727778) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-2H-tetrazol-5-amine
PubChem CID4727778
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC NameN-[(2-methylphenyl)methyl]-2H-tetrazol-5-amine
SMILESCc1ccccc1CNc1nn[nH]n1
InChIInChI=1S/C9H11N5/c1-7-4-2-3-5-8(7)6-10-9-11-13-14-12-9/h2-5H,6H2,1H3,(H2,10,11,12,13,14)
InChIKeyXHIGRGYSKLCXAF-UHFFFAOYSA-N
XLogP1.12
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethylphenyl)methyl]-2H-tetrazol-5-amine
CID 139628212
N-[(2-methoxyphenyl)methyl]-2H-tetrazol-5-amine
CID 961498
N-[(2-methyl-3-pyridinyl)methyl]-2H-tetrazol-5-amine
CID 131070932
N-[[2-(trifluoromethyl)phenyl]methyl]-2H-tetrazol-5-amine
CID 4726734
N-[(2,3-dichlorophenyl)methyl]-2H-tetrazol-5-amine
CID 4725567
1-N,4-N-bis[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 102345817
N-[(4-ethylphenyl)methyl]-2H-tetrazol-5-amine
CID 961500
5-bromo-N-[(2-methylphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 64625511
N-[(2,4,5-trimethoxyphenyl)methyl]-2H-tetrazol-5-amine
CID 4726696
3-(2-methylphenyl)-N-(2H-tetrazol-5-ylmethyl)propanamide
CID 62366415
N-[(4-chlorophenyl)methyl]-2H-tetrazol-5-amine
CID 961582
2-N-benzyl-6-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112915625

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-2H-tetrazol-5-amine?
The IUPAC name of N-[(2-methylphenyl)methyl]-2H-tetrazol-5-amine (CID 4727778) is N-[(2-methylphenyl)methyl]-2H-tetrazol-5-amine.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-2H-tetrazol-5-amine?
The canonical SMILES for N-[(2-methylphenyl)methyl]-2H-tetrazol-5-amine is Cc1ccccc1CNc1nn[nH]n1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-2H-tetrazol-5-amine?
The InChIKey is XHIGRGYSKLCXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-7-4-2-3-5-8(7)6-10-9-11-13-14-12-9/h2-5H,6H2,1H3,(H2,10,11,12,13,14).
What are the key properties of N-[(2-methylphenyl)methyl]-2H-tetrazol-5-amine?
N-[(2-methylphenyl)methyl]-2H-tetrazol-5-amine has a molecular weight of 189.22 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-2H-tetrazol-5-amine is sourced from PubChem (CID 4727778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).