4-(diethylamino)-6-methoxy-1,3,5-triazine-2-carbonitrile

C9H13N5O — CID 672105

IUPAC4-(diethylamino)-6-methoxy-1,3,5-triazine-2-carbonitrile
SMILESCCN(CC)c1nc(C#N)nc(OC)n1
InChIInChI=1S/C9H13N5O/c1-4-14(5-2)8-11-7(6-10)12-9(13-8)15-3/h4-5H2,1-3H3
InChIKeyFAOCUCIKWLQPRI-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.60
Rot. Bonds4

About 4-(diethylamino)-6-methoxy-1,3,5-triazine-2-carbonitrile

4-(diethylamino)-6-methoxy-1,3,5-triazine-2-carbonitrile (PubChem CID 672105) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 4-(diethylamino)-6-methoxy-1,3,5-triazine-2-carbonitrile.

Molecular Properties

Compound Name4-(diethylamino)-6-methoxy-1,3,5-triazine-2-carbonitrile
PubChem CID672105
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name4-(diethylamino)-6-methoxy-1,3,5-triazine-2-carbonitrile
SMILESCCN(CC)c1nc(C#N)nc(OC)n1
InChIInChI=1S/C9H13N5O/c1-4-14(5-2)8-11-7(6-10)12-9(13-8)15-3/h4-5H2,1-3H3
InChIKeyFAOCUCIKWLQPRI-UHFFFAOYSA-N
XLogP0.60
TPSA74.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4,6-Bis(dipropylamino)-1,3,5-triazine-2-carbonitrile
CID 1505725
4,6-Bis(diethylamino)-1,3,5-triazine-2-carbonitrile
CID 687903
4,6-Bis(dimethylamino)-1,3,5-triazine-2-carbonitrile
CID 1502246
4-(Dimethylamino)-6-methoxy-1,3,5-triazine-2-carbonitrile
CID 709138
4-Methoxy-6-(pyrrolidin-1-yl)-1,3,5-triazine-2-carbonitrile
CID 714436
4-Methoxy-6-piperidin-1-yl-[1,3,5]triazine-2-carbonitrile
CID 729323
4-Dimethylamino-6-morpholin-4-yl-[1,3,5]triazine-2-carbonitrile
CID 1088873
N,N,4-Triethyl-6-methoxy-1,3,5-triazin-2-amine
CID 199902
N,N-Diethyl-4-methoxy-6-propyl-1,3,5-triazin-2-amine
CID 199908
2-N,2-N,4-N,4-N-tetraethyl-6-methyl-1,3,5-triazine-2,4-diamine
CID 33385
2-N,2-N-bis(methoxymethyl)-4-N,4-N,6-trimethyl-1,3,5-triazine-2,4-diamine
CID 18344492
4-butoxy-N,N-diethyl-6-methyl-1,3,5-triazin-2-amine
CID 18737804

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-6-methoxy-1,3,5-triazine-2-carbonitrile?
The IUPAC name of 4-(diethylamino)-6-methoxy-1,3,5-triazine-2-carbonitrile (CID 672105) is 4-(diethylamino)-6-methoxy-1,3,5-triazine-2-carbonitrile.
What is the SMILES notation for 4-(diethylamino)-6-methoxy-1,3,5-triazine-2-carbonitrile?
The canonical SMILES for 4-(diethylamino)-6-methoxy-1,3,5-triazine-2-carbonitrile is CCN(CC)c1nc(C#N)nc(OC)n1.
What is the InChIKey of 4-(diethylamino)-6-methoxy-1,3,5-triazine-2-carbonitrile?
The InChIKey is FAOCUCIKWLQPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-4-14(5-2)8-11-7(6-10)12-9(13-8)15-3/h4-5H2,1-3H3.
What are the key properties of 4-(diethylamino)-6-methoxy-1,3,5-triazine-2-carbonitrile?
4-(diethylamino)-6-methoxy-1,3,5-triazine-2-carbonitrile has a molecular weight of 207.24 g/mol, XLogP of 0.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-6-methoxy-1,3,5-triazine-2-carbonitrile is sourced from PubChem (CID 672105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).