cis-(1S,2R)-2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]cyclopropane-1-carbonitrile

C8H6Cl2N4O — CID 126683608

IUPACcis-(1S,2R)-2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]cyclopropane-1-carbonitrile
SMILESN#C[C@H]1C[C@H]1COc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C8H6Cl2N4O/c9-6-12-7(10)14-8(13-6)15-3-5-1-4(5)2-11/h4-5H,1,3H2/t4-,5+/m1/s1
InChIKeyHZANOGPQXVEEOS-UHNVWZDZSA-N
MW245.07 g/mol
LogP1.72
Rot. Bonds3

About cis-(1S,2R)-2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]cyclopropane-1-carbonitrile

cis-(1S,2R)-2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]cyclopropane-1-carbonitrile (PubChem CID 126683608) has the molecular formula C8H6Cl2N4O and a molecular weight of 245.07 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]cyclopropane-1-carbonitrile
PubChem CID126683608
Molecular FormulaC8H6Cl2N4O
Molecular Weight245.07 g/mol
Exact Mass243.99
IUPAC Namecis-(1S,2R)-2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]cyclopropane-1-carbonitrile
SMILESN#C[C@H]1C[C@H]1COc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C8H6Cl2N4O/c9-6-12-7(10)14-8(13-6)15-3-5-1-4(5)2-11/h4-5H,1,3H2/t4-,5+/m1/s1
InChIKeyHZANOGPQXVEEOS-UHNVWZDZSA-N
XLogP1.72
TPSA71.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.07
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]cyclopropane-1-carbonitrile?
The IUPAC name of cis-(1S,2R)-2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]cyclopropane-1-carbonitrile (CID 126683608) is cis-(1S,2R)-2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for cis-(1S,2R)-2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]cyclopropane-1-carbonitrile?
The canonical SMILES for cis-(1S,2R)-2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]cyclopropane-1-carbonitrile is N#C[C@H]1C[C@H]1COc1nc(Cl)nc(Cl)n1.
What is the InChIKey of cis-(1S,2R)-2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]cyclopropane-1-carbonitrile?
The InChIKey is HZANOGPQXVEEOS-UHNVWZDZSA-N. The full InChI is InChI=1S/C8H6Cl2N4O/c9-6-12-7(10)14-8(13-6)15-3-5-1-4(5)2-11/h4-5H,1,3H2/t4-,5+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]cyclopropane-1-carbonitrile?
cis-(1S,2R)-2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]cyclopropane-1-carbonitrile has a molecular weight of 245.07 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 126683608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).