N-but-3-enyl-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine

C10H15ClN4O — CID 106196205

IUPACN-but-3-enyl-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESC=CCCNc1nc(Cl)nc(OC(C)C)n1
InChIInChI=1S/C10H15ClN4O/c1-4-5-6-12-9-13-8(11)14-10(15-9)16-7(2)3/h4,7H,1,5-6H2,2-3H3,(H,12,13,14,15)
InChIKeyUDZALGRLGKOSNI-UHFFFAOYSA-N
MW242.71 g/mol
LogP2.30
Rot. Bonds6

About N-but-3-enyl-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine

N-but-3-enyl-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 106196205) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is N-but-3-enyl-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-but-3-enyl-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID106196205
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC NameN-but-3-enyl-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESC=CCCNc1nc(Cl)nc(OC(C)C)n1
InChIInChI=1S/C10H15ClN4O/c1-4-5-6-12-9-13-8(11)14-10(15-9)16-7(2)3/h4,7H,1,5-6H2,2-3H3,(H,12,13,14,15)
InChIKeyUDZALGRLGKOSNI-UHFFFAOYSA-N
XLogP2.30
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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'}

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Related Compounds

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
4-chloro-N-(2,3-dihydrofuran-2-ylmethyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 89167772
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-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine
CID 62868201
N-butyl-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62869549
4-chloro-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62869874
4-but-3-enoxy-6-chloro-N-propyl-1,3,5-triazin-2-amine
CID 80861070
4-but-3-enoxy-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 80861162

Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of N-but-3-enyl-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 106196205) is N-but-3-enyl-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-but-3-enyl-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-but-3-enyl-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine is C=CCCNc1nc(Cl)nc(OC(C)C)n1.
What is the InChIKey of N-but-3-enyl-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is UDZALGRLGKOSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c1-4-5-6-12-9-13-8(11)14-10(15-9)16-7(2)3/h4,7H,1,5-6H2,2-3H3,(H,12,13,14,15).
What are the key properties of N-but-3-enyl-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine?
N-but-3-enyl-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 242.71 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 106196205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).