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

C9H16ClN5 — CID 18304

IUPAC6-chloro-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Cl)nc(NCCC)n1
InChIInChI=1S/C9H16ClN5/c1-3-5-11-8-13-7(10)14-9(15-8)12-6-4-2/h3-6H2,1-2H3,(H2,11,12,13,14,15)
InChIKeyWKFQDZJPQYALOP-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.17
Rot. Bonds6

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

6-chloro-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine (PubChem CID 18304) has the molecular formula C9H16ClN5 and a molecular weight of 229.71 g/mol. Its IUPAC name is 6-chloro-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
PubChem CID18304
Molecular FormulaC9H16ClN5
Molecular Weight229.71 g/mol
Exact Mass229.11
IUPAC Name6-chloro-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Cl)nc(NCCC)n1
InChIInChI=1S/C9H16ClN5/c1-3-5-11-8-13-7(10)14-9(15-8)12-6-4-2/h3-6H2,1-2H3,(H2,11,12,13,14,15)
InChIKeyWKFQDZJPQYALOP-UHFFFAOYSA-N
XLogP2.17
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Cyanazine
CID 30773
Simazine
CID 5216
Terbuthylazine
CID 22206
Atrazine
CID 2256
Deisopropylatrazine
CID 13878
Deethylatrazine
CID 22563
Propazine
CID 4937
Secbumeton
CID 33443
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,4-N-dipropyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine (CID 18304) is 6-chloro-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(Cl)nc(NCCC)n1.
What is the InChIKey of 6-chloro-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine?
The InChIKey is WKFQDZJPQYALOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN5/c1-3-5-11-8-13-7(10)14-9(15-8)12-6-4-2/h3-6H2,1-2H3,(H2,11,12,13,14,15).
What are the key properties of 6-chloro-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine has a molecular weight of 229.71 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 18304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).