4-amino-6-methoxy-1,3,5-triazine-2-carbonitrile;propane

C8H13N5O — CID 167491139

IUPAC4-amino-6-methoxy-1,3,5-triazine-2-carbonitrile;propane
SMILESCCC.COc1nc(N)nc(C#N)n1
InChIInChI=1S/C5H5N5O.C3H8/c1-11-5-9-3(2-6)8-4(7)10-5;1-3-2/h1H3,(H2,7,8,9,10);3H2,1-2H3
InChIKeyJXTYONLBOQILDI-UHFFFAOYSA-N
MW195.23 g/mol
LogP0.75
Rot. Bonds1

About 4-amino-6-methoxy-1,3,5-triazine-2-carbonitrile;propane

4-amino-6-methoxy-1,3,5-triazine-2-carbonitrile;propane (PubChem CID 167491139) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 4-amino-6-methoxy-1,3,5-triazine-2-carbonitrile;propane.

Molecular Properties

Compound Name4-amino-6-methoxy-1,3,5-triazine-2-carbonitrile;propane
PubChem CID167491139
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name4-amino-6-methoxy-1,3,5-triazine-2-carbonitrile;propane
SMILESCCC.COc1nc(N)nc(C#N)n1
InChIInChI=1S/C5H5N5O.C3H8/c1-11-5-9-3(2-6)8-4(7)10-5;1-3-2/h1H3,(H2,7,8,9,10);3H2,1-2H3
InChIKeyJXTYONLBOQILDI-UHFFFAOYSA-N
XLogP0.75
TPSA97.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Amino-4-methoxy-6-methyl-1,3,5-triazine
CID 15466
4-(Diethylamino)-6-methoxy-1,3,5-triazine-2-carbonitrile
CID 672105
4-Ethoxy-6-methyl-1,3,5-triazin-2-amine
CID 77490
4-Ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 69701
4-(Dimethylamino)-6-methoxy-1,3,5-triazine-2-carbonitrile
CID 709138
1,3,5-Triazin-2-amine, 4-methoxy-6-propyl-
CID 199263
1,3,5-Triazin-2-acetonitrile, 4-amino-6-methoxy-
CID 199944
1,3,5-Triazine-2-acetonitrile, 4-amino-6-ethoxy-
CID 199945
4-Tert-butyl-6-methoxy-1,3,5-triazin-2-amine
CID 698866
1,3,5-Triazine-2-carbonitrile, 4,6-dimethoxy-
CID 2320268
Formaldehyde;6-methyl-1,3,5-triazine-2,4-diamine
CID 67230306
2-Amino-4-isopropyl-6-methoxy-s-triazine
CID 2726590

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methoxy-1,3,5-triazine-2-carbonitrile;propane?
The IUPAC name of 4-amino-6-methoxy-1,3,5-triazine-2-carbonitrile;propane (CID 167491139) is 4-amino-6-methoxy-1,3,5-triazine-2-carbonitrile;propane.
What is the SMILES notation for 4-amino-6-methoxy-1,3,5-triazine-2-carbonitrile;propane?
The canonical SMILES for 4-amino-6-methoxy-1,3,5-triazine-2-carbonitrile;propane is CCC.COc1nc(N)nc(C#N)n1.
What is the InChIKey of 4-amino-6-methoxy-1,3,5-triazine-2-carbonitrile;propane?
The InChIKey is JXTYONLBOQILDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5O.C3H8/c1-11-5-9-3(2-6)8-4(7)10-5;1-3-2/h1H3,(H2,7,8,9,10);3H2,1-2H3.
What are the key properties of 4-amino-6-methoxy-1,3,5-triazine-2-carbonitrile;propane?
4-amino-6-methoxy-1,3,5-triazine-2-carbonitrile;propane has a molecular weight of 195.23 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methoxy-1,3,5-triazine-2-carbonitrile;propane is sourced from PubChem (CID 167491139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).