5-(2-pyrrolidin-1-ylphenyl)-1H-1,2,4-triazole

C12H14N4 — CID 168513267

IUPAC5-(2-pyrrolidin-1-ylphenyl)-1H-1,2,4-triazole
SMILESc1ccc(N2CCCC2)c(-c2ncn[nH]2)c1
InChIInChI=1S/C12H14N4/c1-2-6-11(16-7-3-4-8-16)10(5-1)12-13-9-14-15-12/h1-2,5-6,9H,3-4,7-8H2,(H,13,14,15)
InChIKeyPZQIBJHTGJIOBQ-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.07
Rot. Bonds2

About 5-(2-pyrrolidin-1-ylphenyl)-1H-1,2,4-triazole

5-(2-pyrrolidin-1-ylphenyl)-1H-1,2,4-triazole (PubChem CID 168513267) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 5-(2-pyrrolidin-1-ylphenyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(2-pyrrolidin-1-ylphenyl)-1H-1,2,4-triazole
PubChem CID168513267
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name5-(2-pyrrolidin-1-ylphenyl)-1H-1,2,4-triazole
SMILESc1ccc(N2CCCC2)c(-c2ncn[nH]2)c1
InChIInChI=1S/C12H14N4/c1-2-6-11(16-7-3-4-8-16)10(5-1)12-13-9-14-15-12/h1-2,5-6,9H,3-4,7-8H2,(H,13,14,15)
InChIKeyPZQIBJHTGJIOBQ-UHFFFAOYSA-N
XLogP2.07
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-pyrrolidin-1-ylphenyl)-1H-pyrazole
CID 138542816
5-[2-[(4R)-4-methyl-3-phenylimidazolidin-1-yl]phenyl]-1H-1,2,4-triazole
CID 130387269
4-(2-piperidin-1-ylphenyl)-1H-pyrazol-5-amine
CID 117358181
5-(2-phenylphenyl)-1H-1,2,4-triazole
CID 141114745
1-[2-(2-methylphenyl)phenyl]pyrrolidine
CID 168513578
2-(2-piperidin-1-ylphenyl)pyrazine
CID 134967164
1,1-dioxo-N-[2-(1H-1,2,4-triazol-5-yl)phenyl]thietane-3-carboxamide
CID 171678761
[2-(3-fluorophenyl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 70712664
[(2R)-2-(2-phenylethyl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 97127200
4,5-dimethyl-2-(2-pyrrolidin-1-ylphenyl)-1,3-oxazole
CID 168514490
3-pyrrolidin-1-yl-5-(1H-1,2,4-triazol-5-yl)benzoic acid
CID 66781890
(1'R,4S)-N-[2-(1H-1,2,4-triazol-5-yl)phenyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
CID 124882366

Frequently Asked Questions

What is the IUPAC name of 5-(2-pyrrolidin-1-ylphenyl)-1H-1,2,4-triazole?
The IUPAC name of 5-(2-pyrrolidin-1-ylphenyl)-1H-1,2,4-triazole (CID 168513267) is 5-(2-pyrrolidin-1-ylphenyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-(2-pyrrolidin-1-ylphenyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-(2-pyrrolidin-1-ylphenyl)-1H-1,2,4-triazole is c1ccc(N2CCCC2)c(-c2ncn[nH]2)c1.
What is the InChIKey of 5-(2-pyrrolidin-1-ylphenyl)-1H-1,2,4-triazole?
The InChIKey is PZQIBJHTGJIOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-2-6-11(16-7-3-4-8-16)10(5-1)12-13-9-14-15-12/h1-2,5-6,9H,3-4,7-8H2,(H,13,14,15).
What are the key properties of 5-(2-pyrrolidin-1-ylphenyl)-1H-1,2,4-triazole?
5-(2-pyrrolidin-1-ylphenyl)-1H-1,2,4-triazole has a molecular weight of 214.27 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-pyrrolidin-1-ylphenyl)-1H-1,2,4-triazole is sourced from PubChem (CID 168513267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).