1-benzyl-N-(2-pyrrolidin-1-ylethyl)triazol-4-amine

C15H21N5 — CID 76683889

IUPAC1-benzyl-N-(2-pyrrolidin-1-ylethyl)triazol-4-amine
SMILESc1ccc(Cn2cc(NCCN3CCCC3)nn2)cc1
InChIInChI=1S/C15H21N5/c1-2-6-14(7-3-1)12-20-13-15(17-18-20)16-8-11-19-9-4-5-10-19/h1-3,6-7,13,16H,4-5,8-12H2
InChIKeyGCKBYWDOONANME-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.83
Rot. Bonds6

About 1-benzyl-N-(2-pyrrolidin-1-ylethyl)triazol-4-amine

1-benzyl-N-(2-pyrrolidin-1-ylethyl)triazol-4-amine (PubChem CID 76683889) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 1-benzyl-N-(2-pyrrolidin-1-ylethyl)triazol-4-amine.

Molecular Properties

Compound Name1-benzyl-N-(2-pyrrolidin-1-ylethyl)triazol-4-amine
PubChem CID76683889
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name1-benzyl-N-(2-pyrrolidin-1-ylethyl)triazol-4-amine
SMILESc1ccc(Cn2cc(NCCN3CCCC3)nn2)cc1
InChIInChI=1S/C15H21N5/c1-2-6-14(7-3-1)12-20-13-15(17-18-20)16-8-11-19-9-4-5-10-19/h1-3,6-7,13,16H,4-5,8-12H2
InChIKeyGCKBYWDOONANME-UHFFFAOYSA-N
XLogP1.83
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-pyrrolidin-1-ylethyl)triazol-4-amine?
The IUPAC name of 1-benzyl-N-(2-pyrrolidin-1-ylethyl)triazol-4-amine (CID 76683889) is 1-benzyl-N-(2-pyrrolidin-1-ylethyl)triazol-4-amine.
What is the SMILES notation for 1-benzyl-N-(2-pyrrolidin-1-ylethyl)triazol-4-amine?
The canonical SMILES for 1-benzyl-N-(2-pyrrolidin-1-ylethyl)triazol-4-amine is c1ccc(Cn2cc(NCCN3CCCC3)nn2)cc1.
What is the InChIKey of 1-benzyl-N-(2-pyrrolidin-1-ylethyl)triazol-4-amine?
The InChIKey is GCKBYWDOONANME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-2-6-14(7-3-1)12-20-13-15(17-18-20)16-8-11-19-9-4-5-10-19/h1-3,6-7,13,16H,4-5,8-12H2.
What are the key properties of 1-benzyl-N-(2-pyrrolidin-1-ylethyl)triazol-4-amine?
1-benzyl-N-(2-pyrrolidin-1-ylethyl)triazol-4-amine has a molecular weight of 271.37 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-pyrrolidin-1-ylethyl)triazol-4-amine is sourced from PubChem (CID 76683889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).