N-(2-methyl-3-piperidin-1-ylpropyl)-1,2,4-benzotriazin-3-amine

C16H23N5 — CID 103204138

IUPACN-(2-methyl-3-piperidin-1-ylpropyl)-1,2,4-benzotriazin-3-amine
SMILESCC(CNc1nnc2ccccc2n1)CN1CCCCC1
InChIInChI=1S/C16H23N5/c1-13(12-21-9-5-2-6-10-21)11-17-16-18-14-7-3-4-8-15(14)19-20-16/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H,17,18,20)
InChIKeyNIEOGAKRANWJNK-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.56
Rot. Bonds5

About N-(2-methyl-3-piperidin-1-ylpropyl)-1,2,4-benzotriazin-3-amine

N-(2-methyl-3-piperidin-1-ylpropyl)-1,2,4-benzotriazin-3-amine (PubChem CID 103204138) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(2-methyl-3-piperidin-1-ylpropyl)-1,2,4-benzotriazin-3-amine.

Molecular Properties

Compound NameN-(2-methyl-3-piperidin-1-ylpropyl)-1,2,4-benzotriazin-3-amine
PubChem CID103204138
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC NameN-(2-methyl-3-piperidin-1-ylpropyl)-1,2,4-benzotriazin-3-amine
SMILESCC(CNc1nnc2ccccc2n1)CN1CCCCC1
InChIInChI=1S/C16H23N5/c1-13(12-21-9-5-2-6-10-21)11-17-16-18-14-7-3-4-8-15(14)19-20-16/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H,17,18,20)
InChIKeyNIEOGAKRANWJNK-UHFFFAOYSA-N
XLogP2.56
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)quinoxalin-2-amine
CID 62993510
N-(2-methyl-3-piperidin-1-ylpropyl)-1,3-benzothiazol-2-amine
CID 47283339
N-(2,3-dimethylbutyl)-1,2,4-benzotriazin-3-amine
CID 103204337
N-(2-methyl-3-pyrrolidin-1-ylpropyl)phthalazin-1-amine
CID 60966697
N-(2-methoxypropyl)-1,2,4-benzotriazin-3-amine
CID 103204553
6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyridine-2,6-diamine
CID 80647967
4-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)phthalazin-1-amine
CID 62994226
4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzene-1,4-diamine
CID 62990067
2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carbonitrile
CID 107544433
4-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine
CID 112637597
2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carboxylic acid
CID 107553892
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-propoxypyrimidin-2-amine
CID 115975017

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-piperidin-1-ylpropyl)-1,2,4-benzotriazin-3-amine?
The IUPAC name of N-(2-methyl-3-piperidin-1-ylpropyl)-1,2,4-benzotriazin-3-amine (CID 103204138) is N-(2-methyl-3-piperidin-1-ylpropyl)-1,2,4-benzotriazin-3-amine.
What is the SMILES notation for N-(2-methyl-3-piperidin-1-ylpropyl)-1,2,4-benzotriazin-3-amine?
The canonical SMILES for N-(2-methyl-3-piperidin-1-ylpropyl)-1,2,4-benzotriazin-3-amine is CC(CNc1nnc2ccccc2n1)CN1CCCCC1.
What is the InChIKey of N-(2-methyl-3-piperidin-1-ylpropyl)-1,2,4-benzotriazin-3-amine?
The InChIKey is NIEOGAKRANWJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-13(12-21-9-5-2-6-10-21)11-17-16-18-14-7-3-4-8-15(14)19-20-16/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H,17,18,20).
What are the key properties of N-(2-methyl-3-piperidin-1-ylpropyl)-1,2,4-benzotriazin-3-amine?
N-(2-methyl-3-piperidin-1-ylpropyl)-1,2,4-benzotriazin-3-amine has a molecular weight of 285.39 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-piperidin-1-ylpropyl)-1,2,4-benzotriazin-3-amine is sourced from PubChem (CID 103204138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).