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

C7H9N5O — CID 709138

IUPAC4-(dimethylamino)-6-methoxy-1,3,5-triazine-2-carbonitrile
SMILESCOc1nc(C#N)nc(N(C)C)n1
InChIInChI=1S/C7H9N5O/c1-12(2)6-9-5(4-8)10-7(11-6)13-3/h1-3H3
InChIKeyKKZUHTMZIMPXEU-UHFFFAOYSA-N
MW179.18 g/mol
LogP-0.18
Rot. Bonds2

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

4-(dimethylamino)-6-methoxy-1,3,5-triazine-2-carbonitrile (PubChem CID 709138) has the molecular formula C7H9N5O and a molecular weight of 179.18 g/mol. Its IUPAC name is 4-(dimethylamino)-6-methoxy-1,3,5-triazine-2-carbonitrile.

Molecular Properties

Compound Name4-(dimethylamino)-6-methoxy-1,3,5-triazine-2-carbonitrile
PubChem CID709138
Molecular FormulaC7H9N5O
Molecular Weight179.18 g/mol
Exact Mass179.08
IUPAC Name4-(dimethylamino)-6-methoxy-1,3,5-triazine-2-carbonitrile
SMILESCOc1nc(C#N)nc(N(C)C)n1
InChIInChI=1S/C7H9N5O/c1-12(2)6-9-5(4-8)10-7(11-6)13-3/h1-3H3
InChIKeyKKZUHTMZIMPXEU-UHFFFAOYSA-N
XLogP-0.18
TPSA74.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(Diethylamino)-6-methoxy-1,3,5-triazine-2-carbonitrile
CID 672105
4,6-Bis(dimethylamino)-1,3,5-triazine-2-carbonitrile
CID 1502246
1,3,5-Triazine-2-carbonitrile, 4,6-dimethoxy-
CID 2320268
2-N,2-N-bis(methoxymethyl)-4-N,4-N,6-trimethyl-1,3,5-triazine-2,4-diamine
CID 18344492
2-Isocyano-4-methoxy-6-methyl-1,3,5-triazine
CID 20644261
N2,N2,N4,N4-Tetrakis(methoxymethyl)-6-methyl-1,3,5-triazine-2,4-diamine
CID 21131301
2-N,2-N,4-N-tris(methoxymethyl)-4-N,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 59630208
4-methoxy-N,N,6-trimethyl-1,3,5-triazin-2-amine
CID 59882726
N-ethyl-N'-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-N-methylmethanimidamide
CID 68649442
2-N,4-N-bis(methoxymethyl)-2-N,4-N,6-trimethyl-1,3,5-triazine-2,4-diamine
CID 118097762
4-Amino-6-methoxy-1,3,5-triazine-2-carbonitrile;propane
CID 167491139
4-(Ethylamino)-6-methoxy-1,3,5-triazine-2-carbonitrile
CID 167491724

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-6-methoxy-1,3,5-triazine-2-carbonitrile?
The IUPAC name of 4-(dimethylamino)-6-methoxy-1,3,5-triazine-2-carbonitrile (CID 709138) is 4-(dimethylamino)-6-methoxy-1,3,5-triazine-2-carbonitrile.
What is the SMILES notation for 4-(dimethylamino)-6-methoxy-1,3,5-triazine-2-carbonitrile?
The canonical SMILES for 4-(dimethylamino)-6-methoxy-1,3,5-triazine-2-carbonitrile is COc1nc(C#N)nc(N(C)C)n1.
What is the InChIKey of 4-(dimethylamino)-6-methoxy-1,3,5-triazine-2-carbonitrile?
The InChIKey is KKZUHTMZIMPXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O/c1-12(2)6-9-5(4-8)10-7(11-6)13-3/h1-3H3.
What are the key properties of 4-(dimethylamino)-6-methoxy-1,3,5-triazine-2-carbonitrile?
4-(dimethylamino)-6-methoxy-1,3,5-triazine-2-carbonitrile has a molecular weight of 179.18 g/mol, XLogP of -0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-6-methoxy-1,3,5-triazine-2-carbonitrile is sourced from PubChem (CID 709138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).