3-[[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]benzonitrile

C14H17N7 — CID 80797510

IUPAC3-[[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]benzonitrile
SMILESCNc1nc(NCc2cccc(C#N)c2)nc(N(C)C)n1
InChIInChI=1S/C14H17N7/c1-16-12-18-13(20-14(19-12)21(2)3)17-9-11-6-4-5-10(7-11)8-15/h4-7H,9H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyZMLPAOTWHIOTRO-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.46
Rot. Bonds5

About 3-[[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]benzonitrile

3-[[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]benzonitrile (PubChem CID 80797510) has the molecular formula C14H17N7 and a molecular weight of 283.34 g/mol. Its IUPAC name is 3-[[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]benzonitrile
PubChem CID80797510
Molecular FormulaC14H17N7
Molecular Weight283.34 g/mol
Exact Mass283.15
IUPAC Name3-[[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]benzonitrile
SMILESCNc1nc(NCc2cccc(C#N)c2)nc(N(C)C)n1
InChIInChI=1S/C14H17N7/c1-16-12-18-13(20-14(19-12)21(2)3)17-9-11-6-4-5-10(7-11)8-15/h4-7H,9H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyZMLPAOTWHIOTRO-UHFFFAOYSA-N
XLogP1.46
TPSA89.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]benzonitrile with MolForge

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Related Compounds

3-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]benzonitrile
CID 80797396
6-N-ethyl-2-N,2-N-dimethyl-4-N-[(3-methylphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80773733
4-N-[(2-methoxy-4-pyridinyl)methyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80808945
2-N,2-N,6-N-trimethyl-4-N-[(6-methyl-2-pyridinyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80821942
6-chloro-2-N,2-N-dimethyl-4-N-[(3-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 55125138
3-[[(6-amino-2-pyridinyl)amino]methyl]benzonitrile
CID 80647387
3-[[methyl-[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]benzonitrile
CID 80823780
3-[(2,2-dimethylpropylamino)methyl]benzonitrile
CID 61166413
3-[[2-(dimethylamino)ethylamino]methyl]benzonitrile;dihydrochloride
CID 47002374
3-[[(1-methylpyrazol-4-yl)amino]methyl]benzonitrile
CID 43534977
3-[(4-iodoanilino)methyl]benzonitrile
CID 28878768
3-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 134702880

Frequently Asked Questions

What is the IUPAC name of 3-[[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]benzonitrile?
The IUPAC name of 3-[[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]benzonitrile (CID 80797510) is 3-[[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]benzonitrile.
What is the SMILES notation for 3-[[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]benzonitrile?
The canonical SMILES for 3-[[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]benzonitrile is CNc1nc(NCc2cccc(C#N)c2)nc(N(C)C)n1.
What is the InChIKey of 3-[[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]benzonitrile?
The InChIKey is ZMLPAOTWHIOTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7/c1-16-12-18-13(20-14(19-12)21(2)3)17-9-11-6-4-5-10(7-11)8-15/h4-7H,9H2,1-3H3,(H2,16,17,18,19,20).
What are the key properties of 3-[[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]benzonitrile?
3-[[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]benzonitrile has a molecular weight of 283.34 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]benzonitrile is sourced from PubChem (CID 80797510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).