N-butyl-N-methyl-[1,2,4]triazolo[4,3-a][1,3,5]triazin-5-amine

C9H14N6 — CID 91070862

IUPACN-butyl-N-methyl-[1,2,4]triazolo[4,3-a][1,3,5]triazin-5-amine
SMILESCCCCN(C)c1ncnc2nncn12
InChIInChI=1S/C9H14N6/c1-3-4-5-14(2)9-11-6-10-8-13-12-7-15(8)9/h6-7H,3-5H2,1-2H3
InChIKeyLKKOQJDSEXYIHY-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.76
Rot. Bonds4

About N-butyl-N-methyl-[1,2,4]triazolo[4,3-a][1,3,5]triazin-5-amine

N-butyl-N-methyl-[1,2,4]triazolo[4,3-a][1,3,5]triazin-5-amine (PubChem CID 91070862) has the molecular formula C9H14N6 and a molecular weight of 206.25 g/mol. Its IUPAC name is N-butyl-N-methyl-[1,2,4]triazolo[4,3-a][1,3,5]triazin-5-amine.

Molecular Properties

Compound NameN-butyl-N-methyl-[1,2,4]triazolo[4,3-a][1,3,5]triazin-5-amine
PubChem CID91070862
Molecular FormulaC9H14N6
Molecular Weight206.25 g/mol
Exact Mass206.13
IUPAC NameN-butyl-N-methyl-[1,2,4]triazolo[4,3-a][1,3,5]triazin-5-amine
SMILESCCCCN(C)c1ncnc2nncn12
InChIInChI=1S/C9H14N6/c1-3-4-5-14(2)9-11-6-10-8-13-12-7-15(8)9/h6-7H,3-5H2,1-2H3
InChIKeyLKKOQJDSEXYIHY-UHFFFAOYSA-N
XLogP0.76
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(Pyrrolidin-l-yl)-1,2,4-triazolo[4,3-b][1,2,4,5]tetrazine
CID 566048
6-Piperidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
CID 127043770
1-(1-Methyl-1,2,4-triazol-3-yl)piperidine
CID 21854915
1-(4-Methyl-1,2,4-triazol-3-yl)piperidine
CID 21854916
8-propan-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine
CID 57530988
8-methyl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine
CID 89209622
3-Tert-butyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-3-ium-7-amine
CID 140660191
ethane;8-ethyl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine
CID 142619172
8-(2,2-dimethylpropyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine
CID 143797435
6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidin-8-ylmethylphosphane
CID 143797442
4-methyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine
CID 144434155
Ethane;[1,2,4]triazolo[4,3-a][1,3,5]triazine
CID 144475974

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-[1,2,4]triazolo[4,3-a][1,3,5]triazin-5-amine?
The IUPAC name of N-butyl-N-methyl-[1,2,4]triazolo[4,3-a][1,3,5]triazin-5-amine (CID 91070862) is N-butyl-N-methyl-[1,2,4]triazolo[4,3-a][1,3,5]triazin-5-amine.
What is the SMILES notation for N-butyl-N-methyl-[1,2,4]triazolo[4,3-a][1,3,5]triazin-5-amine?
The canonical SMILES for N-butyl-N-methyl-[1,2,4]triazolo[4,3-a][1,3,5]triazin-5-amine is CCCCN(C)c1ncnc2nncn12.
What is the InChIKey of N-butyl-N-methyl-[1,2,4]triazolo[4,3-a][1,3,5]triazin-5-amine?
The InChIKey is LKKOQJDSEXYIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6/c1-3-4-5-14(2)9-11-6-10-8-13-12-7-15(8)9/h6-7H,3-5H2,1-2H3.
What are the key properties of N-butyl-N-methyl-[1,2,4]triazolo[4,3-a][1,3,5]triazin-5-amine?
N-butyl-N-methyl-[1,2,4]triazolo[4,3-a][1,3,5]triazin-5-amine has a molecular weight of 206.25 g/mol, XLogP of 0.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-[1,2,4]triazolo[4,3-a][1,3,5]triazin-5-amine is sourced from PubChem (CID 91070862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).