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

C10H13N5 — CID 834605

IUPAC1-methyl-N-[(2-methylphenyl)methyl]tetrazol-5-amine
SMILESCc1ccccc1CNc1nnnn1C
InChIInChI=1S/C10H13N5/c1-8-5-3-4-6-9(8)7-11-10-12-13-14-15(10)2/h3-6H,7H2,1-2H3,(H,11,12,14)
InChIKeyCHQPGTNAKZDALZ-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.13
Rot. Bonds3

About 1-methyl-N-[(2-methylphenyl)methyl]tetrazol-5-amine

1-methyl-N-[(2-methylphenyl)methyl]tetrazol-5-amine (PubChem CID 834605) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is 1-methyl-N-[(2-methylphenyl)methyl]tetrazol-5-amine.

Molecular Properties

Compound Name1-methyl-N-[(2-methylphenyl)methyl]tetrazol-5-amine
PubChem CID834605
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name1-methyl-N-[(2-methylphenyl)methyl]tetrazol-5-amine
SMILESCc1ccccc1CNc1nnnn1C
InChIInChI=1S/C10H13N5/c1-8-5-3-4-6-9(8)7-11-10-12-13-14-15(10)2/h3-6H,7H2,1-2H3,(H,11,12,14)
InChIKeyCHQPGTNAKZDALZ-UHFFFAOYSA-N
XLogP1.13
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2-methylphenyl)methyl]tetrazol-5-amine?
The IUPAC name of 1-methyl-N-[(2-methylphenyl)methyl]tetrazol-5-amine (CID 834605) is 1-methyl-N-[(2-methylphenyl)methyl]tetrazol-5-amine.
What is the SMILES notation for 1-methyl-N-[(2-methylphenyl)methyl]tetrazol-5-amine?
The canonical SMILES for 1-methyl-N-[(2-methylphenyl)methyl]tetrazol-5-amine is Cc1ccccc1CNc1nnnn1C.
What is the InChIKey of 1-methyl-N-[(2-methylphenyl)methyl]tetrazol-5-amine?
The InChIKey is CHQPGTNAKZDALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1-8-5-3-4-6-9(8)7-11-10-12-13-14-15(10)2/h3-6H,7H2,1-2H3,(H,11,12,14).
What are the key properties of 1-methyl-N-[(2-methylphenyl)methyl]tetrazol-5-amine?
1-methyl-N-[(2-methylphenyl)methyl]tetrazol-5-amine has a molecular weight of 203.25 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2-methylphenyl)methyl]tetrazol-5-amine is sourced from PubChem (CID 834605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).