1-propyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]tetrazol-5-amine

C15H22N6 — CID 834708

IUPAC1-propyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]tetrazol-5-amine
SMILESCCCn1nnnc1NCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C15H22N6/c1-2-9-21-15(17-18-19-21)16-12-13-5-7-14(8-6-13)20-10-3-4-11-20/h5-8H,2-4,9-12H2,1H3,(H,16,17,19)
InChIKeyCSHVZIOIMAGJDJ-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.30
Rot. Bonds6

About 1-propyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]tetrazol-5-amine

1-propyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]tetrazol-5-amine (PubChem CID 834708) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-propyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]tetrazol-5-amine.

Molecular Properties

Compound Name1-propyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]tetrazol-5-amine
PubChem CID834708
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name1-propyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]tetrazol-5-amine
SMILESCCCn1nnnc1NCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C15H22N6/c1-2-9-21-15(17-18-19-21)16-12-13-5-7-14(8-6-13)20-10-3-4-11-20/h5-8H,2-4,9-12H2,1H3,(H,16,17,19)
InChIKeyCSHVZIOIMAGJDJ-UHFFFAOYSA-N
XLogP2.30
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]tetrazol-5-amine?
The IUPAC name of 1-propyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]tetrazol-5-amine (CID 834708) is 1-propyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]tetrazol-5-amine.
What is the SMILES notation for 1-propyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]tetrazol-5-amine?
The canonical SMILES for 1-propyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]tetrazol-5-amine is CCCn1nnnc1NCc1ccc(N2CCCC2)cc1.
What is the InChIKey of 1-propyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]tetrazol-5-amine?
The InChIKey is CSHVZIOIMAGJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-2-9-21-15(17-18-19-21)16-12-13-5-7-14(8-6-13)20-10-3-4-11-20/h5-8H,2-4,9-12H2,1H3,(H,16,17,19).
What are the key properties of 1-propyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]tetrazol-5-amine?
1-propyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]tetrazol-5-amine has a molecular weight of 286.38 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]tetrazol-5-amine is sourced from PubChem (CID 834708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).