4-N-butyl-2-N-ethyl-4-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine

C12H20N8 — CID 80753902

IUPAC4-N-butyl-2-N-ethyl-4-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCCCCN(C)c1nc(NCC)nc(-n2cncn2)n1
InChIInChI=1S/C12H20N8/c1-4-6-7-19(3)11-16-10(14-5-2)17-12(18-11)20-9-13-8-15-20/h8-9H,4-7H2,1-3H3,(H,14,16,17,18)
InChIKeyYJGLCYHNFWPNHF-UHFFFAOYSA-N
MW276.35 g/mol
LogP1.12
Rot. Bonds7

About 4-N-butyl-2-N-ethyl-4-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine

4-N-butyl-2-N-ethyl-4-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 80753902) has the molecular formula C12H20N8 and a molecular weight of 276.35 g/mol. Its IUPAC name is 4-N-butyl-2-N-ethyl-4-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-2-N-ethyl-4-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
PubChem CID80753902
Molecular FormulaC12H20N8
Molecular Weight276.35 g/mol
Exact Mass276.18
IUPAC Name4-N-butyl-2-N-ethyl-4-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCCCCN(C)c1nc(NCC)nc(-n2cncn2)n1
InChIInChI=1S/C12H20N8/c1-4-6-7-19(3)11-16-10(14-5-2)17-12(18-11)20-9-13-8-15-20/h8-9H,4-7H2,1-3H3,(H,14,16,17,18)
InChIKeyYJGLCYHNFWPNHF-UHFFFAOYSA-N
XLogP1.12
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-N-butyl-2-N-ethyl-4-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

N-butyl-4-chloro-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62870174
4-N-butyl-2-N-ethyl-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80754298
4-(2,2-dimethylhydrazinyl)-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 83025136
2-N-ethyl-4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 115988800
4-N-methyl-4-N-propan-2-yl-2-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80764201
3-[ethyl-[4-(ethylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propanenitrile
CID 80787973
4-butoxy-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80865702
2-N-ethyl-4-N-methyl-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80774484
3-[[4-(ethylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-methylamino]butanenitrile
CID 80814293
4-N-methyl-4-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80774894
1-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-methylamino]-2-methylpropan-2-ol
CID 80922653
4-hydrazinyl-N-methyl-N-(2-propan-2-yloxyethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 81062932

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-2-N-ethyl-4-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-butyl-2-N-ethyl-4-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine (CID 80753902) is 4-N-butyl-2-N-ethyl-4-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-butyl-2-N-ethyl-4-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-butyl-2-N-ethyl-4-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine is CCCCN(C)c1nc(NCC)nc(-n2cncn2)n1.
What is the InChIKey of 4-N-butyl-2-N-ethyl-4-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is YJGLCYHNFWPNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N8/c1-4-6-7-19(3)11-16-10(14-5-2)17-12(18-11)20-9-13-8-15-20/h8-9H,4-7H2,1-3H3,(H,14,16,17,18).
What are the key properties of 4-N-butyl-2-N-ethyl-4-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
4-N-butyl-2-N-ethyl-4-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 276.35 g/mol, XLogP of 1.12, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-2-N-ethyl-4-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80753902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).