6-chloro-2-N-propyl-1,3,5-triazine-2,4-diamine

C6H10ClN5 — CID 539913

IUPAC6-chloro-2-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(N)nc(Cl)n1
InChIInChI=1S/C6H10ClN5/c1-2-3-9-6-11-4(7)10-5(8)12-6/h2-3H2,1H3,(H3,8,9,10,11,12)
InChIKeyNNHOMQSKHVOGSK-UHFFFAOYSA-N
MW187.63 g/mol
LogP0.93
Rot. Bonds3

About 6-chloro-2-N-propyl-1,3,5-triazine-2,4-diamine

6-chloro-2-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 539913) has the molecular formula C6H10ClN5 and a molecular weight of 187.63 g/mol. Its IUPAC name is 6-chloro-2-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID539913
Molecular FormulaC6H10ClN5
Molecular Weight187.63 g/mol
Exact Mass187.06
IUPAC Name6-chloro-2-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(N)nc(Cl)n1
InChIInChI=1S/C6H10ClN5/c1-2-3-9-6-11-4(7)10-5(8)12-6/h2-3H2,1H3,(H3,8,9,10,11,12)
InChIKeyNNHOMQSKHVOGSK-UHFFFAOYSA-N
XLogP0.93
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2-N-propyl-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

Cyromazine
CID 47866
Cyanazine
CID 30773
Simazine
CID 5216
Terbuthylazine
CID 22206
Atrazine
CID 2256
Propazine
CID 4937
Deisopropylatrazine
CID 13878
Deethylatrazine
CID 22563
Cyprazine
CID 24738
Sebuthylazine
CID 23712
Trietazine
CID 15951
1,3,5-Triazine-2,4-diamine, 6-chloro-N2-methyl-N4-(1-methylethyl)-
CID 18153

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-propyl-1,3,5-triazine-2,4-diamine (CID 539913) is 6-chloro-2-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(N)nc(Cl)n1.
What is the InChIKey of 6-chloro-2-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is NNHOMQSKHVOGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClN5/c1-2-3-9-6-11-4(7)10-5(8)12-6/h2-3H2,1H3,(H3,8,9,10,11,12).
What are the key properties of 6-chloro-2-N-propyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 187.63 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 539913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).