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

C12H20N8 — CID 80803827

IUPAC4-N-methyl-2-N-(3-methylpentan-2-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCCC(C)C(C)Nc1nc(NC)nc(-n2cncn2)n1
InChIInChI=1S/C12H20N8/c1-5-8(2)9(3)16-11-17-10(13-4)18-12(19-11)20-7-14-6-15-20/h6-9H,5H2,1-4H3,(H2,13,16,17,18,19)
InChIKeyZNABSBYWHMJHNF-UHFFFAOYSA-N
MW276.35 g/mol
LogP1.34
Rot. Bonds6

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

4-N-methyl-2-N-(3-methylpentan-2-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 80803827) has the molecular formula C12H20N8 and a molecular weight of 276.35 g/mol. Its IUPAC name is 4-N-methyl-2-N-(3-methylpentan-2-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-2-N-(3-methylpentan-2-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
PubChem CID80803827
Molecular FormulaC12H20N8
Molecular Weight276.35 g/mol
Exact Mass276.18
IUPAC Name4-N-methyl-2-N-(3-methylpentan-2-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCCC(C)C(C)Nc1nc(NC)nc(-n2cncn2)n1
InChIInChI=1S/C12H20N8/c1-5-8(2)9(3)16-11-17-10(13-4)18-12(19-11)20-7-14-6-15-20/h6-9H,5H2,1-4H3,(H2,13,16,17,18,19)
InChIKeyZNABSBYWHMJHNF-UHFFFAOYSA-N
XLogP1.34
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

2-[[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propane-1,3-diol
CID 80843254
4-N-(1-methoxypropan-2-yl)-2-N,4-N-dimethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80809298
4-ethoxy-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80853680
N-methyl-4-(1,2,4-triazol-1-yl)-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine
CID 80877877
2-N-(1-ethoxypropan-2-yl)-4-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80792439
4-N-methyl-2-N-pentyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80785739
2-N-pentan-3-yl-4-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80750141
4-hydrazinyl-N-(2-methylbutyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80919626
4-N-methyl-2-N-(3-propoxypropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 82940362
4-hexoxy-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80861914
2-N,4-N-dimethyl-4-N-(2-propan-2-yloxyethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 81064836
2-N,4-N-dipropyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80765612

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-2-N-(3-methylpentan-2-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-methyl-2-N-(3-methylpentan-2-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine (CID 80803827) is 4-N-methyl-2-N-(3-methylpentan-2-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-2-N-(3-methylpentan-2-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-methyl-2-N-(3-methylpentan-2-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine is CCC(C)C(C)Nc1nc(NC)nc(-n2cncn2)n1.
What is the InChIKey of 4-N-methyl-2-N-(3-methylpentan-2-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is ZNABSBYWHMJHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N8/c1-5-8(2)9(3)16-11-17-10(13-4)18-12(19-11)20-7-14-6-15-20/h6-9H,5H2,1-4H3,(H2,13,16,17,18,19).
What are the key properties of 4-N-methyl-2-N-(3-methylpentan-2-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
4-N-methyl-2-N-(3-methylpentan-2-yl)-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 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-2-N-(3-methylpentan-2-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80803827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).