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

C16H21N5 — CID 103204667

IUPAC3-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,2,4-benzotriazine
SMILESc1ccc2nc(N3CCC(C4CCCN4)CC3)nnc2c1
InChIInChI=1S/C16H21N5/c1-2-5-15-14(4-1)18-16(20-19-15)21-10-7-12(8-11-21)13-6-3-9-17-13/h1-2,4-5,12-13,17H,3,6-11H2
InChIKeyYZRFPDCPPILPLY-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.99
Rot. Bonds2

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

3-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,2,4-benzotriazine (PubChem CID 103204667) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,2,4-benzotriazine.

Molecular Properties

Compound Name3-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,2,4-benzotriazine
PubChem CID103204667
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name3-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,2,4-benzotriazine
SMILESc1ccc2nc(N3CCC(C4CCCN4)CC3)nnc2c1
InChIInChI=1S/C16H21N5/c1-2-5-15-14(4-1)18-16(20-19-15)21-10-7-12(8-11-21)13-6-3-9-17-13/h1-2,4-5,12-13,17H,3,6-11H2
InChIKeyYZRFPDCPPILPLY-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-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,2,4-benzotriazine
CID 103204630
2-(4-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine
CID 55167443
2-[(4aS,8aR)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl]quinoxaline
CID 166266864
3-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridazine
CID 63257105
3-methyl-6-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridazine
CID 63257237
2,4-dimethoxy-6-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,3,5-triazine
CID 63257412
2-phenyl-5-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,3,4-thiadiazole
CID 167788420
3-chloro-2-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridine
CID 63257582
2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1H-benzimidazole
CID 60978845
1-(1,2,4-benzotriazin-3-yl)pyrrolidin-3-amine
CID 103204643
1-[1-(1,2,4-benzotriazin-3-yl)piperidin-4-yl]-N-methylmethanamine
CID 103204663
4-methyl-2-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridine
CID 63257496

Frequently Asked Questions

What is the IUPAC name of 3-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,2,4-benzotriazine?
The IUPAC name of 3-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,2,4-benzotriazine (CID 103204667) is 3-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,2,4-benzotriazine.
What is the SMILES notation for 3-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,2,4-benzotriazine?
The canonical SMILES for 3-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,2,4-benzotriazine is c1ccc2nc(N3CCC(C4CCCN4)CC3)nnc2c1.
What is the InChIKey of 3-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,2,4-benzotriazine?
The InChIKey is YZRFPDCPPILPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-2-5-15-14(4-1)18-16(20-19-15)21-10-7-12(8-11-21)13-6-3-9-17-13/h1-2,4-5,12-13,17H,3,6-11H2.
What are the key properties of 3-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,2,4-benzotriazine?
3-(4-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-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,2,4-benzotriazine is sourced from PubChem (CID 103204667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).