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

C8H10FN5 — CID 18729075

IUPAC3-[(4-fluoro-6-methyl-1,3,5-triazin-2-yl)-methylamino]propanenitrile
SMILESCc1nc(F)nc(N(C)CCC#N)n1
InChIInChI=1S/C8H10FN5/c1-6-11-7(9)13-8(12-6)14(2)5-3-4-10/h3,5H2,1-2H3
InChIKeyOQOPUOASGVMHHD-UHFFFAOYSA-N
MW195.20 g/mol
LogP0.67
Rot. Bonds3

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

3-[(4-fluoro-6-methyl-1,3,5-triazin-2-yl)-methylamino]propanenitrile (PubChem CID 18729075) has the molecular formula C8H10FN5 and a molecular weight of 195.20 g/mol. Its IUPAC name is 3-[(4-fluoro-6-methyl-1,3,5-triazin-2-yl)-methylamino]propanenitrile.

Molecular Properties

Compound Name3-[(4-fluoro-6-methyl-1,3,5-triazin-2-yl)-methylamino]propanenitrile
PubChem CID18729075
Molecular FormulaC8H10FN5
Molecular Weight195.20 g/mol
Exact Mass195.09
IUPAC Name3-[(4-fluoro-6-methyl-1,3,5-triazin-2-yl)-methylamino]propanenitrile
SMILESCc1nc(F)nc(N(C)CCC#N)n1
InChIInChI=1S/C8H10FN5/c1-6-11-7(9)13-8(12-6)14(2)5-3-4-10/h3,5H2,1-2H3
InChIKeyOQOPUOASGVMHHD-UHFFFAOYSA-N
XLogP0.67
TPSA65.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-Bis(dipropylamino)-1,3,5-triazine-2-carbonitrile
CID 1505725
4,6-Bis(diethylamino)-1,3,5-triazine-2-carbonitrile
CID 687903
4,6-Bis(dimethylamino)-1,3,5-triazine-2-carbonitrile
CID 1502246
4-Amino-6-(dimethylamino)-1,3,5-triazine-2-acetonitrile
CID 9391723
4-Amino-6-(dipropylamino)-1,3,5-triazine-2-carbonitrile
CID 5299858
4-fluoro-N,N,6-trimethyl-1,3,5-triazin-2-amine
CID 54329421
2-N,2-N-diethyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 139724197
2-N,2-N,4-N,4-N-tetramethyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine
CID 139724199
2-[4,6-Bis(trifluoromethyl)-1,3,5-triazin-2-yl]acetonitrile;ethane
CID 164597090
2-N-butyl-2-N-methyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 112746483
4-Chloro-n-(2,2-difluoropropyl)-n,6-dimethyl-1,3,5-triazin-2-amine
CID 164649428
3-[[4-[Bis(2-cyanoethyl)amino]-6-propyl-1,3,5-triazin-2-yl]-(2-cyanoethyl)amino]propanenitrile
CID 14022347

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluoro-6-methyl-1,3,5-triazin-2-yl)-methylamino]propanenitrile?
The IUPAC name of 3-[(4-fluoro-6-methyl-1,3,5-triazin-2-yl)-methylamino]propanenitrile (CID 18729075) is 3-[(4-fluoro-6-methyl-1,3,5-triazin-2-yl)-methylamino]propanenitrile.
What is the SMILES notation for 3-[(4-fluoro-6-methyl-1,3,5-triazin-2-yl)-methylamino]propanenitrile?
The canonical SMILES for 3-[(4-fluoro-6-methyl-1,3,5-triazin-2-yl)-methylamino]propanenitrile is Cc1nc(F)nc(N(C)CCC#N)n1.
What is the InChIKey of 3-[(4-fluoro-6-methyl-1,3,5-triazin-2-yl)-methylamino]propanenitrile?
The InChIKey is OQOPUOASGVMHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN5/c1-6-11-7(9)13-8(12-6)14(2)5-3-4-10/h3,5H2,1-2H3.
What are the key properties of 3-[(4-fluoro-6-methyl-1,3,5-triazin-2-yl)-methylamino]propanenitrile?
3-[(4-fluoro-6-methyl-1,3,5-triazin-2-yl)-methylamino]propanenitrile has a molecular weight of 195.20 g/mol, XLogP of 0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluoro-6-methyl-1,3,5-triazin-2-yl)-methylamino]propanenitrile is sourced from PubChem (CID 18729075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).