5,6-diethyl-N-(piperidin-3-ylmethyl)-N-propyl-1,2,4-triazin-3-amine

C16H29N5 — CID 106644080

IUPAC5,6-diethyl-N-(piperidin-3-ylmethyl)-N-propyl-1,2,4-triazin-3-amine
SMILESCCCN(CC1CCCNC1)c1nnc(CC)c(CC)n1
InChIInChI=1S/C16H29N5/c1-4-10-21(12-13-8-7-9-17-11-13)16-18-14(5-2)15(6-3)19-20-16/h13,17H,4-12H2,1-3H3
InChIKeyBECCBOUDRUQDOF-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.21
Rot. Bonds7

About 5,6-diethyl-N-(piperidin-3-ylmethyl)-N-propyl-1,2,4-triazin-3-amine

5,6-diethyl-N-(piperidin-3-ylmethyl)-N-propyl-1,2,4-triazin-3-amine (PubChem CID 106644080) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 5,6-diethyl-N-(piperidin-3-ylmethyl)-N-propyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-diethyl-N-(piperidin-3-ylmethyl)-N-propyl-1,2,4-triazin-3-amine
PubChem CID106644080
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name5,6-diethyl-N-(piperidin-3-ylmethyl)-N-propyl-1,2,4-triazin-3-amine
SMILESCCCN(CC1CCCNC1)c1nnc(CC)c(CC)n1
InChIInChI=1S/C16H29N5/c1-4-10-21(12-13-8-7-9-17-11-13)16-18-14(5-2)15(6-3)19-20-16/h13,17H,4-12H2,1-3H3
InChIKeyBECCBOUDRUQDOF-UHFFFAOYSA-N
XLogP2.21
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5,6-diethyl-N-(piperidin-3-ylmethyl)-N-propyl-1,2,4-triazin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[piperidin-3-ylmethyl(propyl)amino]pyrimidine-4-carbonitrile
CID 107552802
3-tert-butyl-N-(piperidin-3-ylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 106644173
2,3-dimethyl-5-nitro-N-(piperidin-3-ylmethyl)-N-propylimidazol-4-amine
CID 106644220
6-methyl-N-(piperidin-3-ylmethyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 106644116
1-methyl-N-(piperidin-3-ylmethyl)-N-propylbenzimidazol-2-amine
CID 106643971
4-[piperidin-3-ylmethyl(propyl)amino]benzenesulfonamide
CID 106643953
2-bromo-6-[piperidin-3-ylmethyl(propyl)amino]benzonitrile
CID 106644108
3-[piperidin-3-ylmethyl(propyl)amino]-1-propan-2-ylpyrazin-2-one
CID 106644195
2-methyl-6-nitro-N-(piperidin-3-ylmethyl)-N-propylaniline
CID 106644069
N-(piperidin-3-ylmethyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 106644149
4-bromo-2-ethyl-5-[piperidin-3-ylmethyl(propyl)amino]pyridazin-3-one
CID 106644106
4-[piperidin-3-ylmethyl(propyl)amino]pyridine-2-carboxamide
CID 106644188

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-N-(piperidin-3-ylmethyl)-N-propyl-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-diethyl-N-(piperidin-3-ylmethyl)-N-propyl-1,2,4-triazin-3-amine (CID 106644080) is 5,6-diethyl-N-(piperidin-3-ylmethyl)-N-propyl-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-diethyl-N-(piperidin-3-ylmethyl)-N-propyl-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-diethyl-N-(piperidin-3-ylmethyl)-N-propyl-1,2,4-triazin-3-amine is CCCN(CC1CCCNC1)c1nnc(CC)c(CC)n1.
What is the InChIKey of 5,6-diethyl-N-(piperidin-3-ylmethyl)-N-propyl-1,2,4-triazin-3-amine?
The InChIKey is BECCBOUDRUQDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-4-10-21(12-13-8-7-9-17-11-13)16-18-14(5-2)15(6-3)19-20-16/h13,17H,4-12H2,1-3H3.
What are the key properties of 5,6-diethyl-N-(piperidin-3-ylmethyl)-N-propyl-1,2,4-triazin-3-amine?
5,6-diethyl-N-(piperidin-3-ylmethyl)-N-propyl-1,2,4-triazin-3-amine has a molecular weight of 291.44 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-N-(piperidin-3-ylmethyl)-N-propyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 106644080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).