4-but-3-enoxy-6-chloro-N-propyl-1,3,5-triazin-2-amine

C10H15ClN4O — CID 80861070

IUPAC4-but-3-enoxy-6-chloro-N-propyl-1,3,5-triazin-2-amine
SMILESC=CCCOc1nc(Cl)nc(NCCC)n1
InChIInChI=1S/C10H15ClN4O/c1-3-5-7-16-10-14-8(11)13-9(15-10)12-6-4-2/h3H,1,4-7H2,2H3,(H,12,13,14,15)
InChIKeyLCHFITWODVUVSG-UHFFFAOYSA-N
MW242.71 g/mol
LogP2.30
Rot. Bonds7

About 4-but-3-enoxy-6-chloro-N-propyl-1,3,5-triazin-2-amine

4-but-3-enoxy-6-chloro-N-propyl-1,3,5-triazin-2-amine (PubChem CID 80861070) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 4-but-3-enoxy-6-chloro-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-but-3-enoxy-6-chloro-N-propyl-1,3,5-triazin-2-amine
PubChem CID80861070
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name4-but-3-enoxy-6-chloro-N-propyl-1,3,5-triazin-2-amine
SMILESC=CCCOc1nc(Cl)nc(NCCC)n1
InChIInChI=1S/C10H15ClN4O/c1-3-5-7-16-10-14-8(11)13-9(15-10)12-6-4-2/h3H,1,4-7H2,2H3,(H,12,13,14,15)
InChIKeyLCHFITWODVUVSG-UHFFFAOYSA-N
XLogP2.30
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-but-3-enoxy-6-chloro-N-propyl-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

Cambridge id 6807868
CID 35116
2,4-Bis(allylamino)-6-butoxy-s-triazine
CID 459157
1,3,5-Triazine, 2-allylamino-4-ethoxy-6-dimethylamino-
CID 602118
4-chloro-6-prop-2-enoxy-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 20463
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 hydrochloride
CID 86665975
4-chloro-N-(2,3-dihydrofuran-2-ylmethyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 89167772
4-chloro-6-propoxy-N-propyl-1,3,5-triazin-2-amine
CID 20460
4-chloro-N-ethyl-6-prop-2-enoxy-1,3,5-triazin-2-amine
CID 20462
4-chloro-6-methoxy-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 20516
4-chloro-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 62858534
4-but-3-enoxy-6-chloro-N,N-diethyl-1,3,5-triazin-2-amine
CID 62869784

Frequently Asked Questions

What is the IUPAC name of 4-but-3-enoxy-6-chloro-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-but-3-enoxy-6-chloro-N-propyl-1,3,5-triazin-2-amine (CID 80861070) is 4-but-3-enoxy-6-chloro-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-but-3-enoxy-6-chloro-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-but-3-enoxy-6-chloro-N-propyl-1,3,5-triazin-2-amine is C=CCCOc1nc(Cl)nc(NCCC)n1.
What is the InChIKey of 4-but-3-enoxy-6-chloro-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is LCHFITWODVUVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c1-3-5-7-16-10-14-8(11)13-9(15-10)12-6-4-2/h3H,1,4-7H2,2H3,(H,12,13,14,15).
What are the key properties of 4-but-3-enoxy-6-chloro-N-propyl-1,3,5-triazin-2-amine?
4-but-3-enoxy-6-chloro-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 242.71 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enoxy-6-chloro-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80861070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).