3,6-dichloro-N-(1-piperidin-1-ylpropan-2-yl)-1,2,4-triazin-5-amine

C11H17Cl2N5 — CID 81036944

IUPAC3,6-dichloro-N-(1-piperidin-1-ylpropan-2-yl)-1,2,4-triazin-5-amine
SMILESCC(CN1CCCCC1)Nc1nc(Cl)nnc1Cl
InChIInChI=1S/C11H17Cl2N5/c1-8(7-18-5-3-2-4-6-18)14-10-9(12)16-17-11(13)15-10/h8H,2-7H2,1H3,(H,14,15,17)
InChIKeyBWVWRXNUFXTWJS-UHFFFAOYSA-N
MW290.20 g/mol
LogP2.46
Rot. Bonds4

About 3,6-dichloro-N-(1-piperidin-1-ylpropan-2-yl)-1,2,4-triazin-5-amine

3,6-dichloro-N-(1-piperidin-1-ylpropan-2-yl)-1,2,4-triazin-5-amine (PubChem CID 81036944) has the molecular formula C11H17Cl2N5 and a molecular weight of 290.20 g/mol. Its IUPAC name is 3,6-dichloro-N-(1-piperidin-1-ylpropan-2-yl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3,6-dichloro-N-(1-piperidin-1-ylpropan-2-yl)-1,2,4-triazin-5-amine
PubChem CID81036944
Molecular FormulaC11H17Cl2N5
Molecular Weight290.20 g/mol
Exact Mass289.09
IUPAC Name3,6-dichloro-N-(1-piperidin-1-ylpropan-2-yl)-1,2,4-triazin-5-amine
SMILESCC(CN1CCCCC1)Nc1nc(Cl)nnc1Cl
InChIInChI=1S/C11H17Cl2N5/c1-8(7-18-5-3-2-4-6-18)14-10-9(12)16-17-11(13)15-10/h8H,2-7H2,1H3,(H,14,15,17)
InChIKeyBWVWRXNUFXTWJS-UHFFFAOYSA-N
XLogP2.46
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,6-dichloro-N-(1-piperidin-1-ylpropan-2-yl)-1,2,4-triazin-5-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

6-chloro-4,5-dimethyl-N-(1-piperidin-1-ylpropan-2-yl)pyridazin-3-amine
CID 55168144
6-chloro-4-N-methyl-2-N-(1-piperidin-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80801538
6-chloro-4-N-(1-piperidin-1-ylpropan-2-yl)pyrimidine-4,5-diamine
CID 63022906
3-N-(3,6-dichloro-1,2,4-triazin-5-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 81038165
6-chloro-N-(1-piperidin-1-ylpropan-2-yl)-5-propylpyrimidin-4-amine
CID 63729469
3,6-dichloro-N-piperidin-1-yl-1,2,4-triazin-5-amine
CID 83020030
2,5-dimethyl-4-N-(1-piperidin-1-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80801780
3,5-dichloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-2-amine
CID 61222948
4-chloro-N-(1-piperidin-1-ylpropan-2-yl)-1,3-thiazol-2-amine
CID 83152888
4-chloro-6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrimidine-5-carbaldehyde
CID 66366326
6-chloro-5-propyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-amine
CID 63728295
3-bromo-4-methyl-N-(1-piperidin-1-ylpropan-2-yl)pyridin-2-amine
CID 106875617

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(1-piperidin-1-ylpropan-2-yl)-1,2,4-triazin-5-amine?
The IUPAC name of 3,6-dichloro-N-(1-piperidin-1-ylpropan-2-yl)-1,2,4-triazin-5-amine (CID 81036944) is 3,6-dichloro-N-(1-piperidin-1-ylpropan-2-yl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3,6-dichloro-N-(1-piperidin-1-ylpropan-2-yl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3,6-dichloro-N-(1-piperidin-1-ylpropan-2-yl)-1,2,4-triazin-5-amine is CC(CN1CCCCC1)Nc1nc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-N-(1-piperidin-1-ylpropan-2-yl)-1,2,4-triazin-5-amine?
The InChIKey is BWVWRXNUFXTWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17Cl2N5/c1-8(7-18-5-3-2-4-6-18)14-10-9(12)16-17-11(13)15-10/h8H,2-7H2,1H3,(H,14,15,17).
What are the key properties of 3,6-dichloro-N-(1-piperidin-1-ylpropan-2-yl)-1,2,4-triazin-5-amine?
3,6-dichloro-N-(1-piperidin-1-ylpropan-2-yl)-1,2,4-triazin-5-amine has a molecular weight of 290.20 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(1-piperidin-1-ylpropan-2-yl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 81036944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).