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

C8H12N8 — CID 80766436

IUPAC2-N-propan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)Nc1nc(N)nc(-n2cncn2)n1
InChIInChI=1S/C8H12N8/c1-5(2)12-7-13-6(9)14-8(15-7)16-4-10-3-11-16/h3-5H,1-2H3,(H3,9,12,13,14,15)
InChIKeyWHCCSWCOXJAJMD-UHFFFAOYSA-N
MW220.24 g/mol
LogP-0.15
Rot. Bonds3

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

2-N-propan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 80766436) has the molecular formula C8H12N8 and a molecular weight of 220.24 g/mol. Its IUPAC name is 2-N-propan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-propan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
PubChem CID80766436
Molecular FormulaC8H12N8
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Name2-N-propan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)Nc1nc(N)nc(-n2cncn2)n1
InChIInChI=1S/C8H12N8/c1-5(2)12-7-13-6(9)14-8(15-7)16-4-10-3-11-16/h3-5H,1-2H3,(H3,9,12,13,14,15)
InChIKeyWHCCSWCOXJAJMD-UHFFFAOYSA-N
XLogP-0.15
TPSA107.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-N-propan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-propan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine (CID 80766436) is 2-N-propan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-propan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-propan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine is CC(C)Nc1nc(N)nc(-n2cncn2)n1.
What is the InChIKey of 2-N-propan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is WHCCSWCOXJAJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N8/c1-5(2)12-7-13-6(9)14-8(15-7)16-4-10-3-11-16/h3-5H,1-2H3,(H3,9,12,13,14,15).
What are the key properties of 2-N-propan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
2-N-propan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 220.24 g/mol, XLogP of -0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-propan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80766436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).