3-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-2-methylpropanenitrile

C10H15ClN6 — CID 80811299

IUPAC3-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-2-methylpropanenitrile
SMILESCCNc1nc(Cl)nc(N(C)CC(C)C#N)n1
InChIInChI=1S/C10H15ClN6/c1-4-13-9-14-8(11)15-10(16-9)17(3)6-7(2)5-12/h7H,4,6H2,1-3H3,(H,13,14,15,16)
InChIKeyUQOXIDMLIZVHHC-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.55
Rot. Bonds5

About 3-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-2-methylpropanenitrile

3-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-2-methylpropanenitrile (PubChem CID 80811299) has the molecular formula C10H15ClN6 and a molecular weight of 254.72 g/mol. Its IUPAC name is 3-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-2-methylpropanenitrile
PubChem CID80811299
Molecular FormulaC10H15ClN6
Molecular Weight254.72 g/mol
Exact Mass254.10
IUPAC Name3-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-2-methylpropanenitrile
SMILESCCNc1nc(Cl)nc(N(C)CC(C)C#N)n1
InChIInChI=1S/C10H15ClN6/c1-4-13-9-14-8(11)15-10(16-9)17(3)6-7(2)5-12/h7H,4,6H2,1-3H3,(H,13,14,15,16)
InChIKeyUQOXIDMLIZVHHC-UHFFFAOYSA-N
XLogP1.55
TPSA77.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-4-N-ethyl-2-N-methyl-2-N-(3-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80796350
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-N-methylacetamide
CID 80780722
6-chloro-4-N-ethyl-2-N-methyl-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine
CID 80792082
6-chloro-4-N-ethyl-2-N-methyl-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine
CID 80849700
6-chloro-2-N-ethoxy-4-N-ethyl-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 163693056
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 19377260
6-chloro-2-N,4-N-diethyl-(1,3,5-15N3)1,3,5-triazine-2,4-diamine
CID 91927796
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 5216
3-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-methylamino]-2-methylpropanenitrile
CID 62863601
6-chloro-2-N-(cyclohexylmethyl)-4-N-ethyl-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80800037
3-[(5-chloropyrimidin-2-yl)-methylamino]-2-methylpropanenitrile
CID 79557173
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-N-propylacetamide
CID 80808415

Frequently Asked Questions

What is the IUPAC name of 3-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-2-methylpropanenitrile?
The IUPAC name of 3-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-2-methylpropanenitrile (CID 80811299) is 3-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-2-methylpropanenitrile?
The canonical SMILES for 3-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-2-methylpropanenitrile is CCNc1nc(Cl)nc(N(C)CC(C)C#N)n1.
What is the InChIKey of 3-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-2-methylpropanenitrile?
The InChIKey is UQOXIDMLIZVHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN6/c1-4-13-9-14-8(11)15-10(16-9)17(3)6-7(2)5-12/h7H,4,6H2,1-3H3,(H,13,14,15,16).
What are the key properties of 3-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-2-methylpropanenitrile?
3-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-2-methylpropanenitrile has a molecular weight of 254.72 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-2-methylpropanenitrile is sourced from PubChem (CID 80811299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).