(3-methylphenyl)-(2H-tetrazol-5-yl)methanamine

C9H11N5 — CID 54775384

IUPAC(3-methylphenyl)-(2H-tetrazol-5-yl)methanamine
SMILESCc1cccc(C(N)c2nn[nH]n2)c1
InChIInChI=1S/C9H11N5/c1-6-3-2-4-7(5-6)8(10)9-11-13-14-12-9/h2-5,8H,10H2,1H3,(H,11,12,13,14)
InChIKeyHDIFQKDPIUMBJH-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.56
Rot. Bonds2

About (3-methylphenyl)-(2H-tetrazol-5-yl)methanamine

(3-methylphenyl)-(2H-tetrazol-5-yl)methanamine (PubChem CID 54775384) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is (3-methylphenyl)-(2H-tetrazol-5-yl)methanamine.

Molecular Properties

Compound Name(3-methylphenyl)-(2H-tetrazol-5-yl)methanamine
PubChem CID54775384
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name(3-methylphenyl)-(2H-tetrazol-5-yl)methanamine
SMILESCc1cccc(C(N)c2nn[nH]n2)c1
InChIInChI=1S/C9H11N5/c1-6-3-2-4-7(5-6)8(10)9-11-13-14-12-9/h2-5,8H,10H2,1H3,(H,11,12,13,14)
InChIKeyHDIFQKDPIUMBJH-UHFFFAOYSA-N
XLogP0.56
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethylthiadiazol-5-yl)-(3-methylphenyl)methanamine
CID 105090458
(3-methylphenyl)methanediamine;dihydrochloride
CID 67649251
(2-methylphenyl)-(3-methylphenyl)methanamine
CID 43828955
pyridin-2-yl(2H-tetrazol-5-yl)methanamine
CID 55269695
(3-methylphenyl)-pyridazin-4-ylmethanamine
CID 105090632
(3-methylphenyl)-(6-methyl-3-pyridinyl)methanamine
CID 63156097
(4-ethylsulfanylphenyl)-(3-methylphenyl)methanamine
CID 106848621
(3-ethoxyphenyl)-(3-methylphenyl)methanamine
CID 60798038
2-[amino-(3-methylphenyl)methyl]aniline
CID 118675282
CID 156724864
CID 156724864
(1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine
CID 93312698
(1R)-2-methyl-1-(3-methylphenyl)propan-1-amine
CID 45072365

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-(2H-tetrazol-5-yl)methanamine?
The IUPAC name of (3-methylphenyl)-(2H-tetrazol-5-yl)methanamine (CID 54775384) is (3-methylphenyl)-(2H-tetrazol-5-yl)methanamine.
What is the SMILES notation for (3-methylphenyl)-(2H-tetrazol-5-yl)methanamine?
The canonical SMILES for (3-methylphenyl)-(2H-tetrazol-5-yl)methanamine is Cc1cccc(C(N)c2nn[nH]n2)c1.
What is the InChIKey of (3-methylphenyl)-(2H-tetrazol-5-yl)methanamine?
The InChIKey is HDIFQKDPIUMBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-6-3-2-4-7(5-6)8(10)9-11-13-14-12-9/h2-5,8H,10H2,1H3,(H,11,12,13,14).
What are the key properties of (3-methylphenyl)-(2H-tetrazol-5-yl)methanamine?
(3-methylphenyl)-(2H-tetrazol-5-yl)methanamine has a molecular weight of 189.22 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-(2H-tetrazol-5-yl)methanamine is sourced from PubChem (CID 54775384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).