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

C13H19N5 — CID 4727493

IUPAC1-ethyl-N-[(4-propan-2-ylphenyl)methyl]tetrazol-5-amine
SMILESCCn1nnnc1NCc1ccc(C(C)C)cc1
InChIInChI=1S/C13H19N5/c1-4-18-13(15-16-17-18)14-9-11-5-7-12(8-6-11)10(2)3/h5-8,10H,4,9H2,1-3H3,(H,14,15,17)
InChIKeyKTDWVPGNCOUOEH-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.43
Rot. Bonds5

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

1-ethyl-N-[(4-propan-2-ylphenyl)methyl]tetrazol-5-amine (PubChem CID 4727493) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-ethyl-N-[(4-propan-2-ylphenyl)methyl]tetrazol-5-amine.

Molecular Properties

Compound Name1-ethyl-N-[(4-propan-2-ylphenyl)methyl]tetrazol-5-amine
PubChem CID4727493
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name1-ethyl-N-[(4-propan-2-ylphenyl)methyl]tetrazol-5-amine
SMILESCCn1nnnc1NCc1ccc(C(C)C)cc1
InChIInChI=1S/C13H19N5/c1-4-18-13(15-16-17-18)14-9-11-5-7-12(8-6-11)10(2)3/h5-8,10H,4,9H2,1-3H3,(H,14,15,17)
InChIKeyKTDWVPGNCOUOEH-UHFFFAOYSA-N
XLogP2.43
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(4-propan-2-ylphenyl)methyl]tetrazol-5-amine?
The IUPAC name of 1-ethyl-N-[(4-propan-2-ylphenyl)methyl]tetrazol-5-amine (CID 4727493) is 1-ethyl-N-[(4-propan-2-ylphenyl)methyl]tetrazol-5-amine.
What is the SMILES notation for 1-ethyl-N-[(4-propan-2-ylphenyl)methyl]tetrazol-5-amine?
The canonical SMILES for 1-ethyl-N-[(4-propan-2-ylphenyl)methyl]tetrazol-5-amine is CCn1nnnc1NCc1ccc(C(C)C)cc1.
What is the InChIKey of 1-ethyl-N-[(4-propan-2-ylphenyl)methyl]tetrazol-5-amine?
The InChIKey is KTDWVPGNCOUOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-4-18-13(15-16-17-18)14-9-11-5-7-12(8-6-11)10(2)3/h5-8,10H,4,9H2,1-3H3,(H,14,15,17).
What are the key properties of 1-ethyl-N-[(4-propan-2-ylphenyl)methyl]tetrazol-5-amine?
1-ethyl-N-[(4-propan-2-ylphenyl)methyl]tetrazol-5-amine has a molecular weight of 245.33 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(4-propan-2-ylphenyl)methyl]tetrazol-5-amine is sourced from PubChem (CID 4727493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).