1-methyl-N-[(4-propan-2-ylphenyl)methyl]tetrazol-5-amine

C12H17N5 — CID 4727590

IUPAC1-methyl-N-[(4-propan-2-ylphenyl)methyl]tetrazol-5-amine
SMILESCC(C)c1ccc(CNc2nnnn2C)cc1
InChIInChI=1S/C12H17N5/c1-9(2)11-6-4-10(5-7-11)8-13-12-14-15-16-17(12)3/h4-7,9H,8H2,1-3H3,(H,13,14,16)
InChIKeyJZPPDQIZZJVALZ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.95
Rot. Bonds4

About 1-methyl-N-[(4-propan-2-ylphenyl)methyl]tetrazol-5-amine

1-methyl-N-[(4-propan-2-ylphenyl)methyl]tetrazol-5-amine (PubChem CID 4727590) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-methyl-N-[(4-propan-2-ylphenyl)methyl]tetrazol-5-amine.

Molecular Properties

Compound Name1-methyl-N-[(4-propan-2-ylphenyl)methyl]tetrazol-5-amine
PubChem CID4727590
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name1-methyl-N-[(4-propan-2-ylphenyl)methyl]tetrazol-5-amine
SMILESCC(C)c1ccc(CNc2nnnn2C)cc1
InChIInChI=1S/C12H17N5/c1-9(2)11-6-4-10(5-7-11)8-13-12-14-15-16-17(12)3/h4-7,9H,8H2,1-3H3,(H,13,14,16)
InChIKeyJZPPDQIZZJVALZ-UHFFFAOYSA-N
XLogP1.95
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(4-propan-2-ylphenyl)methyl]tetrazol-5-amine?
The IUPAC name of 1-methyl-N-[(4-propan-2-ylphenyl)methyl]tetrazol-5-amine (CID 4727590) is 1-methyl-N-[(4-propan-2-ylphenyl)methyl]tetrazol-5-amine.
What is the SMILES notation for 1-methyl-N-[(4-propan-2-ylphenyl)methyl]tetrazol-5-amine?
The canonical SMILES for 1-methyl-N-[(4-propan-2-ylphenyl)methyl]tetrazol-5-amine is CC(C)c1ccc(CNc2nnnn2C)cc1.
What is the InChIKey of 1-methyl-N-[(4-propan-2-ylphenyl)methyl]tetrazol-5-amine?
The InChIKey is JZPPDQIZZJVALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-9(2)11-6-4-10(5-7-11)8-13-12-14-15-16-17(12)3/h4-7,9H,8H2,1-3H3,(H,13,14,16).
What are the key properties of 1-methyl-N-[(4-propan-2-ylphenyl)methyl]tetrazol-5-amine?
1-methyl-N-[(4-propan-2-ylphenyl)methyl]tetrazol-5-amine has a molecular weight of 231.30 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(4-propan-2-ylphenyl)methyl]tetrazol-5-amine is sourced from PubChem (CID 4727590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).