5-piperidin-1-yl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine

C15H17N5 — CID 3071556

IUPAC5-piperidin-1-yl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
SMILESc1ccc2c(c1)N=C(N1CCCCC1)Cc1nncn1-2
InChIInChI=1S/C15H17N5/c1-4-8-19(9-5-1)14-10-15-18-16-11-20(15)13-7-3-2-6-12(13)17-14/h2-3,6-7,11H,1,4-5,8-10H2
InChIKeyJNRVXWFZWNKIHP-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.34
Rot. Bonds

About 5-piperidin-1-yl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine

5-piperidin-1-yl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine (PubChem CID 3071556) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 5-piperidin-1-yl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine.

Molecular Properties

Compound Name5-piperidin-1-yl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
PubChem CID3071556
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name5-piperidin-1-yl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
SMILESc1ccc2c(c1)N=C(N1CCCCC1)Cc1nncn1-2
InChIInChI=1S/C15H17N5/c1-4-8-19(9-5-1)14-10-15-18-16-11-20(15)13-7-3-2-6-12(13)17-14/h2-3,6-7,11H,1,4-5,8-10H2
InChIKeyJNRVXWFZWNKIHP-UHFFFAOYSA-N
XLogP2.34
TPSA46.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-5-pyrrolidin-1-yl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
CID 3076973
N,N-dibutyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine
CID 3071554
1-[2-(1,2,4-triazol-4-yl)phenyl]piperidine
CID 50879631
6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline
CID 10241903
4-(4-methylpiperazin-1-yl)-2-piperazin-1-yl-3H-1,5-benzodiazepine
CID 71054969
2,8-dihydro-1H-azeto[2,1-b]quinazoline
CID 15852512
(2-piperidin-1-ylphenyl)boronic acid
CID 4192666
17-thia-8,11,13,14-tetrazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,12,14-heptaene
CID 10562020
8-chloro-6-(2-chlorophenyl)-4,6-dihydro-[1,2,4]triazolo[4,3-a][4,1]benzoxazepine
CID 13105772
3-(azepan-1-yl)-5-phenyl-4,5-dihydro-1,2-oxazole
CID 58126474
2-phenyl-5-piperidin-1-yl-4H-pyrazol-3-one
CID 3785895
N-iodo-2-[3-(2-piperidin-1-yl-3H-indol-6-yl)prop-2-ynimidoyl]aniline
CID 163253867

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-yl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine?
The IUPAC name of 5-piperidin-1-yl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine (CID 3071556) is 5-piperidin-1-yl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine.
What is the SMILES notation for 5-piperidin-1-yl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine?
The canonical SMILES for 5-piperidin-1-yl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine is c1ccc2c(c1)N=C(N1CCCCC1)Cc1nncn1-2.
What is the InChIKey of 5-piperidin-1-yl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine?
The InChIKey is JNRVXWFZWNKIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-4-8-19(9-5-1)14-10-15-18-16-11-20(15)13-7-3-2-6-12(13)17-14/h2-3,6-7,11H,1,4-5,8-10H2.
What are the key properties of 5-piperidin-1-yl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine?
5-piperidin-1-yl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine has a molecular weight of 267.34 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-yl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine is sourced from PubChem (CID 3071556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).