N-[(2,4-dimethylphenyl)methyl]-2H-tetrazol-5-amine

C10H13N5 — CID 139628212

IUPACN-[(2,4-dimethylphenyl)methyl]-2H-tetrazol-5-amine
SMILESCc1ccc(CNc2nn[nH]n2)c(C)c1
InChIInChI=1S/C10H13N5/c1-7-3-4-9(8(2)5-7)6-11-10-12-14-15-13-10/h3-5H,6H2,1-2H3,(H2,11,12,13,14,15)
InChIKeyVDKZIVXKLMVLOU-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.43
Rot. Bonds3

About N-[(2,4-dimethylphenyl)methyl]-2H-tetrazol-5-amine

N-[(2,4-dimethylphenyl)methyl]-2H-tetrazol-5-amine (PubChem CID 139628212) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-2H-tetrazol-5-amine
PubChem CID139628212
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-2H-tetrazol-5-amine
SMILESCc1ccc(CNc2nn[nH]n2)c(C)c1
InChIInChI=1S/C10H13N5/c1-7-3-4-9(8(2)5-7)6-11-10-12-14-15-13-10/h3-5H,6H2,1-2H3,(H2,11,12,13,14,15)
InChIKeyVDKZIVXKLMVLOU-UHFFFAOYSA-N
XLogP1.43
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-2H-tetrazol-5-amine?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-2H-tetrazol-5-amine (CID 139628212) is N-[(2,4-dimethylphenyl)methyl]-2H-tetrazol-5-amine.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-2H-tetrazol-5-amine?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-2H-tetrazol-5-amine is Cc1ccc(CNc2nn[nH]n2)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-2H-tetrazol-5-amine?
The InChIKey is VDKZIVXKLMVLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1-7-3-4-9(8(2)5-7)6-11-10-12-14-15-13-10/h3-5H,6H2,1-2H3,(H2,11,12,13,14,15).
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-2H-tetrazol-5-amine?
N-[(2,4-dimethylphenyl)methyl]-2H-tetrazol-5-amine has a molecular weight of 203.25 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-2H-tetrazol-5-amine is sourced from PubChem (CID 139628212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).