4-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]benzonitrile

C17H19N5 — CID 133280853

IUPAC4-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]benzonitrile
SMILESN#Cc1ccc(N2CCCC(c3nnc4n3CCC4)C2)cc1
InChIInChI=1S/C17H19N5/c18-11-13-5-7-15(8-6-13)21-9-1-3-14(12-21)17-20-19-16-4-2-10-22(16)17/h5-8,14H,1-4,9-10,12H2
InChIKeyQTAQFNZTVXIDLW-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.48
Rot. Bonds2

About 4-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]benzonitrile

4-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]benzonitrile (PubChem CID 133280853) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]benzonitrile.

Molecular Properties

Compound Name4-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]benzonitrile
PubChem CID133280853
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name4-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]benzonitrile
SMILESN#Cc1ccc(N2CCCC(c3nnc4n3CCC4)C2)cc1
InChIInChI=1S/C17H19N5/c18-11-13-5-7-15(8-6-13)21-9-1-3-14(12-21)17-20-19-16-4-2-10-22(16)17/h5-8,14H,1-4,9-10,12H2
InChIKeyQTAQFNZTVXIDLW-UHFFFAOYSA-N
XLogP2.48
TPSA57.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-3,5-difluorobenzonitrile
CID 133292115
3-(1-pyrazin-2-ylpiperidin-3-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 133292022
4-(3-fluoropiperidin-1-yl)benzonitrile
CID 105456209
4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]benzonitrile
CID 86776903
4-[(3R)-3-aminopiperidin-1-yl]benzonitrile;hydrochloride
CID 166607137
3-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 133290557
3-[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 133470566
4-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-2-pyridin-4-ylquinazoline
CID 133292066
4-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-6-methylquinazoline
CID 133292091
7-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133292044
3-(1-quinolin-4-ylpiperidin-3-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 75370498
2-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-5-(trifluoromethyl)-1,3-benzothiazole
CID 133320302

Frequently Asked Questions

What is the IUPAC name of 4-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]benzonitrile?
The IUPAC name of 4-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]benzonitrile (CID 133280853) is 4-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]benzonitrile.
What is the SMILES notation for 4-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]benzonitrile?
The canonical SMILES for 4-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]benzonitrile is N#Cc1ccc(N2CCCC(c3nnc4n3CCC4)C2)cc1.
What is the InChIKey of 4-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]benzonitrile?
The InChIKey is QTAQFNZTVXIDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c18-11-13-5-7-15(8-6-13)21-9-1-3-14(12-21)17-20-19-16-4-2-10-22(16)17/h5-8,14H,1-4,9-10,12H2.
What are the key properties of 4-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]benzonitrile?
4-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]benzonitrile has a molecular weight of 293.37 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]benzonitrile is sourced from PubChem (CID 133280853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).