2-N-prop-2-enoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine;hydrochloride

C12H23ClN6O — CID 86665975

IUPAC2-N-prop-2-enoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
SMILESC=CCONc1nc(NCCC)nc(NCCC)n1.Cl
InChIInChI=1S/C12H22N6O.ClH/c1-4-7-13-10-15-11(14-8-5-2)17-12(16-10)18-19-9-6-3;/h6H,3-5,7-9H2,1-2H3,(H3,13,14,15,16,17,18);1H
InChIKeyAFCLMMXZKMWNHU-UHFFFAOYSA-N
MW302.81 g/mol
LogP2.47
Rot. Bonds10

About 2-N-prop-2-enoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine;hydrochloride

2-N-prop-2-enoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine;hydrochloride (PubChem CID 86665975) has the molecular formula C12H23ClN6O and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-N-prop-2-enoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine;hydrochloride.

Molecular Properties

Compound Name2-N-prop-2-enoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
PubChem CID86665975
Molecular FormulaC12H23ClN6O
Molecular Weight302.81 g/mol
Exact Mass302.16
IUPAC Name2-N-prop-2-enoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
SMILESC=CCONc1nc(NCCC)nc(NCCC)n1.Cl
InChIInChI=1S/C12H22N6O.ClH/c1-4-7-13-10-15-11(14-8-5-2)17-12(16-10)18-19-9-6-3;/h6H,3-5,7-9H2,1-2H3,(H3,13,14,15,16,17,18);1H
InChIKeyAFCLMMXZKMWNHU-UHFFFAOYSA-N
XLogP2.47
TPSA83.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-N-prop-2-enoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine;hydrochloride 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

Cambridge id 6807868
CID 35116
6-ethoxy-2-N,2-N-dimethyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 602118
6-(allyloxy)-N~2~,N~4~-diisopropyl-1,3,5-triazine-2,4-diamine
CID 6618995
6-(allyloxy)-N'-ethyl-N,N-dimethyl-1,3,5-triazine-2,4-diamine
CID 2055870
2,4-Diallylamino-6-allyloxy-sym-triazine
CID 89303317
2,4-Bis(allylamino)-6-butoxy-s-triazine
CID 459157
4,6-Bis(allyloxy)-N-butyl-1,3,5-triazin-2-amine
CID 104663
N~2~-allyl-6-methoxy-N~4~,N~4~-dipropyl-1,3,5-triazine-2,4-diamine
CID 4345880
4,6-diethoxy-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 23310878
O-allyl-N-(4,6-bis-propylamino-[1,3,5]triazin-2-yl)-hydroxylamine
CID 57377802
N-(4,6-Bis-propylamino-[1,3,5]triazin-2-yl)-O-ethyl-N-methyl-hydroxylamine
CID 57378017
N-(4,6-bis-propylamino-[1,3,5]triazin-2-yl)-O-methyl-hydroxylamine hydrochloride
CID 86665974

Frequently Asked Questions

What is the IUPAC name of 2-N-prop-2-enoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine;hydrochloride?
The IUPAC name of 2-N-prop-2-enoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine;hydrochloride (CID 86665975) is 2-N-prop-2-enoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine;hydrochloride.
What is the SMILES notation for 2-N-prop-2-enoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine;hydrochloride?
The canonical SMILES for 2-N-prop-2-enoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine;hydrochloride is C=CCONc1nc(NCCC)nc(NCCC)n1.Cl.
What is the InChIKey of 2-N-prop-2-enoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine;hydrochloride?
The InChIKey is AFCLMMXZKMWNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O.ClH/c1-4-7-13-10-15-11(14-8-5-2)17-12(16-10)18-19-9-6-3;/h6H,3-5,7-9H2,1-2H3,(H3,13,14,15,16,17,18);1H.
What are the key properties of 2-N-prop-2-enoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine;hydrochloride?
2-N-prop-2-enoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine;hydrochloride has a molecular weight of 302.81 g/mol, XLogP of 2.47, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-prop-2-enoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine;hydrochloride is sourced from PubChem (CID 86665975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).