2-chloro-4-(2-propoxyethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine

C10H13ClN6O2 — CID 63685456

IUPAC2-chloro-4-(2-propoxyethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
SMILESCCCOCCOc1nc(Cl)nc(-n2cncn2)n1
InChIInChI=1S/C10H13ClN6O2/c1-2-3-18-4-5-19-10-15-8(11)14-9(16-10)17-7-12-6-13-17/h6-7H,2-5H2,1H3
InChIKeyKAEIHJCPDRMKFB-UHFFFAOYSA-N
MW284.71 g/mol
LogP0.91
Rot. Bonds7

About 2-chloro-4-(2-propoxyethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine

2-chloro-4-(2-propoxyethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine (PubChem CID 63685456) has the molecular formula C10H13ClN6O2 and a molecular weight of 284.71 g/mol. Its IUPAC name is 2-chloro-4-(2-propoxyethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(2-propoxyethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
PubChem CID63685456
Molecular FormulaC10H13ClN6O2
Molecular Weight284.71 g/mol
Exact Mass284.08
IUPAC Name2-chloro-4-(2-propoxyethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
SMILESCCCOCCOc1nc(Cl)nc(-n2cncn2)n1
InChIInChI=1S/C10H13ClN6O2/c1-2-3-18-4-5-19-10-15-8(11)14-9(16-10)17-7-12-6-13-17/h6-7H,2-5H2,1H3
InChIKeyKAEIHJCPDRMKFB-UHFFFAOYSA-N
XLogP0.91
TPSA87.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.71
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-(3-methoxypropoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
CID 55124429
4-propoxy-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80853858
4-[4-chloro-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]morpholine
CID 63685639
2-chloro-4-[2-(2-methoxyethoxy)ethoxy]-6-pyrazol-1-yl-1,3,5-triazine
CID 104561391
4-butoxy-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80865702
N-ethyl-4-(2-methoxyethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80860019
4-hexoxy-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80861914
4-chloro-N,N-diethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62869350
2-chloro-4-[2-(3-methoxypropoxy)ethoxy]-6-pyrazol-1-yl-1,3,5-triazine
CID 103177489
2-chloro-4-imidazol-1-yl-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazine
CID 104561424
2-chloro-4-(4-fluorophenoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
CID 62869968
4-ethoxy-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80853680

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-propoxyethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(2-propoxyethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine (CID 63685456) is 2-chloro-4-(2-propoxyethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(2-propoxyethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(2-propoxyethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine is CCCOCCOc1nc(Cl)nc(-n2cncn2)n1.
What is the InChIKey of 2-chloro-4-(2-propoxyethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine?
The InChIKey is KAEIHJCPDRMKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN6O2/c1-2-3-18-4-5-19-10-15-8(11)14-9(16-10)17-7-12-6-13-17/h6-7H,2-5H2,1H3.
What are the key properties of 2-chloro-4-(2-propoxyethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine?
2-chloro-4-(2-propoxyethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine has a molecular weight of 284.71 g/mol, XLogP of 0.91, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-propoxyethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine is sourced from PubChem (CID 63685456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).