3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]propanenitrile

C11H17N5 — CID 105362232

IUPAC3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]propanenitrile
SMILESCCc1nnc(N(C)CCC#N)nc1CC
InChIInChI=1S/C11H17N5/c1-4-9-10(5-2)14-15-11(13-9)16(3)8-6-7-12/h4-6,8H2,1-3H3
InChIKeyVSAPMFBNMKFVTE-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.35
Rot. Bonds5

About 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]propanenitrile

3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]propanenitrile (PubChem CID 105362232) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]propanenitrile.

Molecular Properties

Compound Name3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]propanenitrile
PubChem CID105362232
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]propanenitrile
SMILESCCc1nnc(N(C)CCC#N)nc1CC
InChIInChI=1S/C11H17N5/c1-4-9-10(5-2)14-15-11(13-9)16(3)8-6-7-12/h4-6,8H2,1-3H3
InChIKeyVSAPMFBNMKFVTE-UHFFFAOYSA-N
XLogP1.35
TPSA65.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propanenitrile
CID 80754392
3-[(4,6-dimethoxypyrimidin-2-yl)-methylamino]propanenitrile
CID 115354838
3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]propanenitrile
CID 80972894
3-[(6-chloro-2-ethylpyrimidin-4-yl)-methylamino]propanenitrile
CID 80943703
3-[(5-cyclobutylpyrimidin-2-yl)-methylamino]propanenitrile
CID 116978010
3-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-methylamino]propanenitrile
CID 136516347
N-(3-bromopropyl)-N,5,6-triethyl-1,2,4-triazin-3-amine
CID 105363457
3-[methyl-(6-methylsulfanylpyridazin-3-yl)amino]propanenitrile
CID 133381576
3-[(6-ethylpyrimidin-4-yl)-methylamino]propanenitrile
CID 61234578
3-[(2-cyclopropylpyrimidin-4-yl)-methylamino]propanenitrile
CID 133370479
3-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]propanenitrile
CID 80956049
3-[methyl-[5-(2-methylpropyl)pyrimidin-2-yl]amino]propanenitrile
CID 116977973

Frequently Asked Questions

What is the IUPAC name of 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]propanenitrile?
The IUPAC name of 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]propanenitrile (CID 105362232) is 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]propanenitrile.
What is the SMILES notation for 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]propanenitrile?
The canonical SMILES for 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]propanenitrile is CCc1nnc(N(C)CCC#N)nc1CC.
What is the InChIKey of 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]propanenitrile?
The InChIKey is VSAPMFBNMKFVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-4-9-10(5-2)14-15-11(13-9)16(3)8-6-7-12/h4-6,8H2,1-3H3.
What are the key properties of 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]propanenitrile?
3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]propanenitrile has a molecular weight of 219.29 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]propanenitrile is sourced from PubChem (CID 105362232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).