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

C11H18N8 — CID 80838224

IUPAC4-N-methyl-4-N-(2-methylbutan-2-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCCC(C)(C)N(C)c1nc(N)nc(-n2cncn2)n1
InChIInChI=1S/C11H18N8/c1-5-11(2,3)18(4)9-15-8(12)16-10(17-9)19-7-13-6-14-19/h6-7H,5H2,1-4H3,(H2,12,15,16,17)
InChIKeyPWTMJSMJEGTQEL-UHFFFAOYSA-N
MW262.32 g/mol
LogP0.66
Rot. Bonds4

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

4-N-methyl-4-N-(2-methylbutan-2-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 80838224) has the molecular formula C11H18N8 and a molecular weight of 262.32 g/mol. Its IUPAC name is 4-N-methyl-4-N-(2-methylbutan-2-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(2-methylbutan-2-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
PubChem CID80838224
Molecular FormulaC11H18N8
Molecular Weight262.32 g/mol
Exact Mass262.17
IUPAC Name4-N-methyl-4-N-(2-methylbutan-2-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCCC(C)(C)N(C)c1nc(N)nc(-n2cncn2)n1
InChIInChI=1S/C11H18N8/c1-5-11(2,3)18(4)9-15-8(12)16-10(17-9)19-7-13-6-14-19/h6-7H,5H2,1-4H3,(H2,12,15,16,17)
InChIKeyPWTMJSMJEGTQEL-UHFFFAOYSA-N
XLogP0.66
TPSA98.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(2-methylbutan-2-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(2-methylbutan-2-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine (CID 80838224) is 4-N-methyl-4-N-(2-methylbutan-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-4-N-(2-methylbutan-2-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(2-methylbutan-2-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine is CCC(C)(C)N(C)c1nc(N)nc(-n2cncn2)n1.
What is the InChIKey of 4-N-methyl-4-N-(2-methylbutan-2-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is PWTMJSMJEGTQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N8/c1-5-11(2,3)18(4)9-15-8(12)16-10(17-9)19-7-13-6-14-19/h6-7H,5H2,1-4H3,(H2,12,15,16,17).
What are the key properties of 4-N-methyl-4-N-(2-methylbutan-2-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
4-N-methyl-4-N-(2-methylbutan-2-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 262.32 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(2-methylbutan-2-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80838224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).