3-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,2,4-benzotriazine

C16H21N5 — CID 103204630

IUPAC3-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,2,4-benzotriazine
SMILESc1ccc2nc(N3CCCC(C4CCCN4)C3)nnc2c1
InChIInChI=1S/C16H21N5/c1-2-7-15-14(6-1)18-16(20-19-15)21-10-4-5-12(11-21)13-8-3-9-17-13/h1-2,6-7,12-13,17H,3-5,8-11H2
InChIKeyYUCARIOTPYSOFT-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.99
Rot. Bonds2

About 3-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,2,4-benzotriazine

3-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,2,4-benzotriazine (PubChem CID 103204630) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,2,4-benzotriazine.

Molecular Properties

Compound Name3-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,2,4-benzotriazine
PubChem CID103204630
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name3-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,2,4-benzotriazine
SMILESc1ccc2nc(N3CCCC(C4CCCN4)C3)nnc2c1
InChIInChI=1S/C16H21N5/c1-2-7-15-14(6-1)18-16(20-19-15)21-10-4-5-12(11-21)13-8-3-9-17-13/h1-2,6-7,12-13,17H,3-5,8-11H2
InChIKeyYUCARIOTPYSOFT-UHFFFAOYSA-N
XLogP1.99
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,2,4-benzotriazine
CID 103204667
2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1H-benzimidazole
CID 60978845
2-[(4aS,8aR)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl]quinoxaline
CID 166266864
4-methyl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine
CID 62958401
3-(3-pyrrolidin-2-ylpiperidin-1-yl)pyridazine
CID 62484087
1-(1,2,4-benzotriazin-3-yl)pyrrolidin-3-amine
CID 103204643
5-methoxy-2-(3-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine
CID 114600863
6-(3-pyrrolidin-2-ylpiperidin-1-yl)pyridine-2-carbonitrile
CID 64587185
(4aR,8aS)-6-(1-phenyltetrazol-5-yl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine
CID 154823989
2-(4-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine
CID 55167443
ethyl 1-(1,2,4-benzotriazin-3-yl)piperidine-3-carboxylate
CID 103204945
(4aR,8aS)-6-(1H-benzimidazol-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine;dihydrochloride
CID 154924128

Frequently Asked Questions

What is the IUPAC name of 3-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,2,4-benzotriazine?
The IUPAC name of 3-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,2,4-benzotriazine (CID 103204630) is 3-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,2,4-benzotriazine.
What is the SMILES notation for 3-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,2,4-benzotriazine?
The canonical SMILES for 3-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,2,4-benzotriazine is c1ccc2nc(N3CCCC(C4CCCN4)C3)nnc2c1.
What is the InChIKey of 3-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,2,4-benzotriazine?
The InChIKey is YUCARIOTPYSOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-2-7-15-14(6-1)18-16(20-19-15)21-10-4-5-12(11-21)13-8-3-9-17-13/h1-2,6-7,12-13,17H,3-5,8-11H2.
What are the key properties of 3-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,2,4-benzotriazine?
3-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,2,4-benzotriazine has a molecular weight of 283.38 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,2,4-benzotriazine is sourced from PubChem (CID 103204630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).