3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-methylamino]butanenitrile

C12H19ClN6 — CID 63228323

IUPAC3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-methylamino]butanenitrile
SMILESCCN(CC)c1nc(Cl)nc(N(C)C(C)CC#N)n1
InChIInChI=1S/C12H19ClN6/c1-5-19(6-2)12-16-10(13)15-11(17-12)18(4)9(3)7-8-14/h9H,5-7H2,1-4H3
InChIKeyBIUJIGSRRHYLPH-UHFFFAOYSA-N
MW282.78 g/mol
LogP2.11
Rot. Bonds6

About 3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-methylamino]butanenitrile

3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-methylamino]butanenitrile (PubChem CID 63228323) has the molecular formula C12H19ClN6 and a molecular weight of 282.78 g/mol. Its IUPAC name is 3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-methylamino]butanenitrile.

Molecular Properties

Compound Name3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-methylamino]butanenitrile
PubChem CID63228323
Molecular FormulaC12H19ClN6
Molecular Weight282.78 g/mol
Exact Mass282.14
IUPAC Name3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-methylamino]butanenitrile
SMILESCCN(CC)c1nc(Cl)nc(N(C)C(C)CC#N)n1
InChIInChI=1S/C12H19ClN6/c1-5-19(6-2)12-16-10(13)15-11(17-12)18(4)9(3)7-8-14/h9H,5-7H2,1-4H3
InChIKeyBIUJIGSRRHYLPH-UHFFFAOYSA-N
XLogP2.11
TPSA68.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.78
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-methylamino]butanenitrile 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-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 172755084
6-chloro-2-N,4-N,4-N-triethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 62864543
1-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-methylamino]propan-2-ol
CID 55125237
6-chloro-2-N-ethyl-4-N,4-N-dimethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 55125269
3-[(2-chloro-5-methylpyrimidin-4-yl)-methylamino]butanenitrile
CID 79073009
3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2-methylpropyl)amino]propanenitrile
CID 62864840
4-N-butyl-6-chloro-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 62870530
3-[(5-fluoropyrimidin-2-yl)-methylamino]butanenitrile
CID 115750231
1-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-methylamino]-2-methylpropan-2-ol
CID 79386252
6-chloro-4-N,4-N-diethyl-2-N,2-N-bis(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
CID 62863384
6-chloro-2-N-(2-ethoxyethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4-diamine
CID 63692736
3-[(6-chloropyrimidin-4-yl)-methylamino]butanenitrile
CID 63228370

Frequently Asked Questions

What is the IUPAC name of 3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-methylamino]butanenitrile?
The IUPAC name of 3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-methylamino]butanenitrile (CID 63228323) is 3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-methylamino]butanenitrile.
What is the SMILES notation for 3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-methylamino]butanenitrile?
The canonical SMILES for 3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-methylamino]butanenitrile is CCN(CC)c1nc(Cl)nc(N(C)C(C)CC#N)n1.
What is the InChIKey of 3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-methylamino]butanenitrile?
The InChIKey is BIUJIGSRRHYLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN6/c1-5-19(6-2)12-16-10(13)15-11(17-12)18(4)9(3)7-8-14/h9H,5-7H2,1-4H3.
What are the key properties of 3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-methylamino]butanenitrile?
3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-methylamino]butanenitrile has a molecular weight of 282.78 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-methylamino]butanenitrile is sourced from PubChem (CID 63228323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).