2-(4-pyrrolidin-1-ylphenyl)triazole

C12H14N4 — CID 168515524

IUPAC2-(4-pyrrolidin-1-ylphenyl)triazole
SMILESc1cnn(-c2ccc(N3CCCC3)cc2)n1
InChIInChI=1S/C12H14N4/c1-2-10-15(9-1)11-3-5-12(6-4-11)16-13-7-8-14-16/h3-8H,1-2,9-10H2
InChIKeyHWYNKFIUBSUGIX-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.87
Rot. Bonds2

About 2-(4-pyrrolidin-1-ylphenyl)triazole

2-(4-pyrrolidin-1-ylphenyl)triazole (PubChem CID 168515524) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-(4-pyrrolidin-1-ylphenyl)triazole.

Molecular Properties

Compound Name2-(4-pyrrolidin-1-ylphenyl)triazole
PubChem CID168515524
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name2-(4-pyrrolidin-1-ylphenyl)triazole
SMILESc1cnn(-c2ccc(N3CCCC3)cc2)n1
InChIInChI=1S/C12H14N4/c1-2-10-15(9-1)11-3-5-12(6-4-11)16-13-7-8-14-16/h3-8H,1-2,9-10H2
InChIKeyHWYNKFIUBSUGIX-UHFFFAOYSA-N
XLogP1.87
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
4-pyrrolidin-1-ylpyridine
CID 158456628
1-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine
CID 106571572
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085
2-(4-piperidin-1-ylphenyl)pyrazole-3-carboxylic acid
CID 142699348
disilver;tetrakis(4-pyrrolidin-1-ylpyridine);diperchlorate
CID 139201601
1-[4-(azepan-1-yl)phenyl]ethanamine
CID 43188750
(4-piperidin-1-ylphenyl)boronic acid;hydrochloride
CID 44754903
4-(azepan-1-yl)aniline;dihydrochloride
CID 16640674
4-(azepan-1-yl)aniline;hydrochloride
CID 6603137
1-[4-[2-(4-piperidin-1-ylphenyl)ethenyl]phenyl]piperidine
CID 56975979
1-[4-(triazol-2-yl)phenyl]cyclohexan-1-amine
CID 117358245

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrrolidin-1-ylphenyl)triazole?
The IUPAC name of 2-(4-pyrrolidin-1-ylphenyl)triazole (CID 168515524) is 2-(4-pyrrolidin-1-ylphenyl)triazole.
What is the SMILES notation for 2-(4-pyrrolidin-1-ylphenyl)triazole?
The canonical SMILES for 2-(4-pyrrolidin-1-ylphenyl)triazole is c1cnn(-c2ccc(N3CCCC3)cc2)n1.
What is the InChIKey of 2-(4-pyrrolidin-1-ylphenyl)triazole?
The InChIKey is HWYNKFIUBSUGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-2-10-15(9-1)11-3-5-12(6-4-11)16-13-7-8-14-16/h3-8H,1-2,9-10H2.
What are the key properties of 2-(4-pyrrolidin-1-ylphenyl)triazole?
2-(4-pyrrolidin-1-ylphenyl)triazole has a molecular weight of 214.27 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrrolidin-1-ylphenyl)triazole is sourced from PubChem (CID 168515524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).