2-butoxy-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine

C11H17ClN4O — CID 55124334

IUPAC2-butoxy-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine
SMILESCCCCOc1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C11H17ClN4O/c1-2-3-8-17-11-14-9(12)13-10(15-11)16-6-4-5-7-16/h2-8H2,1H3
InChIKeySCGOCTSYJRCUBI-UHFFFAOYSA-N
MW256.74 g/mol
LogP2.30
Rot. Bonds5

About 2-butoxy-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine

2-butoxy-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine (PubChem CID 55124334) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 2-butoxy-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-butoxy-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine
PubChem CID55124334
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name2-butoxy-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine
SMILESCCCCOc1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C11H17ClN4O/c1-2-3-8-17-11-14-9(12)13-10(15-11)16-6-4-5-7-16/h2-8H2,1H3
InChIKeySCGOCTSYJRCUBI-UHFFFAOYSA-N
XLogP2.30
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-butoxy-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine?
The IUPAC name of 2-butoxy-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine (CID 55124334) is 2-butoxy-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-butoxy-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine?
The canonical SMILES for 2-butoxy-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine is CCCCOc1nc(Cl)nc(N2CCCC2)n1.
What is the InChIKey of 2-butoxy-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine?
The InChIKey is SCGOCTSYJRCUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-2-3-8-17-11-14-9(12)13-10(15-11)16-6-4-5-7-16/h2-8H2,1H3.
What are the key properties of 2-butoxy-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine?
2-butoxy-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine has a molecular weight of 256.74 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine is sourced from PubChem (CID 55124334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).