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

C7H10N6 — CID 9391723

IUPAC2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]acetonitrile
SMILESCN(C)c1nc(N)nc(CC#N)n1
InChIInChI=1S/C7H10N6/c1-13(2)7-11-5(3-4-8)10-6(9)12-7/h3H2,1-2H3,(H2,9,10,11,12)
InChIKeyMOVYTPJXZBDDBN-UHFFFAOYSA-N
MW178.20 g/mol
LogP-0.41
Rot. Bonds2

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

2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]acetonitrile (PubChem CID 9391723) has the molecular formula C7H10N6 and a molecular weight of 178.20 g/mol. Its IUPAC name is 2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]acetonitrile
PubChem CID9391723
Molecular FormulaC7H10N6
Molecular Weight178.20 g/mol
Exact Mass178.10
IUPAC Name2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]acetonitrile
SMILESCN(C)c1nc(N)nc(CC#N)n1
InChIInChI=1S/C7H10N6/c1-13(2)7-11-5(3-4-8)10-6(9)12-7/h3H2,1-2H3,(H2,9,10,11,12)
InChIKeyMOVYTPJXZBDDBN-UHFFFAOYSA-N
XLogP-0.41
TPSA91.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.20
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]acetonitrile?
The IUPAC name of 2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]acetonitrile (CID 9391723) is 2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]acetonitrile.
What is the SMILES notation for 2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]acetonitrile?
The canonical SMILES for 2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]acetonitrile is CN(C)c1nc(N)nc(CC#N)n1.
What is the InChIKey of 2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]acetonitrile?
The InChIKey is MOVYTPJXZBDDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6/c1-13(2)7-11-5(3-4-8)10-6(9)12-7/h3H2,1-2H3,(H2,9,10,11,12).
What are the key properties of 2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]acetonitrile?
2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]acetonitrile has a molecular weight of 178.20 g/mol, XLogP of -0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]acetonitrile is sourced from PubChem (CID 9391723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).