4-N-but-3-en-2-yl-6-chloro-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine

C11H18ClN5 — CID 106195755

IUPAC4-N-but-3-en-2-yl-6-chloro-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
SMILESC=CC(C)Nc1nc(Cl)nc(N(CC)CC)n1
InChIInChI=1S/C11H18ClN5/c1-5-8(4)13-10-14-9(12)15-11(16-10)17(6-2)7-3/h5,8H,1,6-7H2,2-4H3,(H,13,14,15,16)
InChIKeyZWZGLOXJBNPTIP-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.36
Rot. Bonds6

About 4-N-but-3-en-2-yl-6-chloro-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine

4-N-but-3-en-2-yl-6-chloro-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine (PubChem CID 106195755) has the molecular formula C11H18ClN5 and a molecular weight of 255.75 g/mol. Its IUPAC name is 4-N-but-3-en-2-yl-6-chloro-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-but-3-en-2-yl-6-chloro-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
PubChem CID106195755
Molecular FormulaC11H18ClN5
Molecular Weight255.75 g/mol
Exact Mass255.13
IUPAC Name4-N-but-3-en-2-yl-6-chloro-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
SMILESC=CC(C)Nc1nc(Cl)nc(N(CC)CC)n1
InChIInChI=1S/C11H18ClN5/c1-5-8(4)13-10-14-9(12)15-11(16-10)17(6-2)7-3/h5,8H,1,6-7H2,2-4H3,(H,13,14,15,16)
InChIKeyZWZGLOXJBNPTIP-UHFFFAOYSA-N
XLogP2.36
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-N-but-3-en-2-yl-6-chloro-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine 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

4-N-but-3-en-2-yl-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 106195710
2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol
CID 79246600
6-chloro-4-N-(1-cyclopropylpropan-2-yl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 63996756
6-chloro-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 172755084
6-chloro-4-N-(2-chloroethyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 27378828
6-chloro-2-N,2-N-diethyl-4-N-[1-(furan-2-yl)propan-2-yl]-1,3,5-triazine-2,4-diamine
CID 62864795
6-chloro-2-N,2-N-diethyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine
CID 106194753
6-chloro-2-N,4-N,4-N-triethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 62864543
6-chloro-2-N,2-N-diethyl-4-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine
CID 63959456
6-chloro-4-N-[2-(dimethylamino)-2-methylpropyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 62864491
4-N-but-3-ynyl-6-chloro-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 106194921
6-chloro-2-N,2-N-diethyl-4-N-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 83019714

Frequently Asked Questions

What is the IUPAC name of 4-N-but-3-en-2-yl-6-chloro-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-but-3-en-2-yl-6-chloro-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine (CID 106195755) is 4-N-but-3-en-2-yl-6-chloro-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-but-3-en-2-yl-6-chloro-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-but-3-en-2-yl-6-chloro-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine is C=CC(C)Nc1nc(Cl)nc(N(CC)CC)n1.
What is the InChIKey of 4-N-but-3-en-2-yl-6-chloro-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is ZWZGLOXJBNPTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5/c1-5-8(4)13-10-14-9(12)15-11(16-10)17(6-2)7-3/h5,8H,1,6-7H2,2-4H3,(H,13,14,15,16).
What are the key properties of 4-N-but-3-en-2-yl-6-chloro-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine?
4-N-but-3-en-2-yl-6-chloro-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 255.75 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-but-3-en-2-yl-6-chloro-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 106195755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).