6-propan-2-yl-1,2,4-triazin-3-amine

C6H10N4 — CID 21138966

IUPAC6-propan-2-yl-1,2,4-triazin-3-amine
SMILESCC(C)c1cnc(N)nn1
InChIInChI=1S/C6H10N4/c1-4(2)5-3-8-6(7)10-9-5/h3-4H,1-2H3,(H2,7,8,10)
InChIKeyXFOIPCQRESUTGE-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.58
Rot. Bonds1

About 6-propan-2-yl-1,2,4-triazin-3-amine

6-propan-2-yl-1,2,4-triazin-3-amine (PubChem CID 21138966) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is 6-propan-2-yl-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-propan-2-yl-1,2,4-triazin-3-amine
PubChem CID21138966
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name6-propan-2-yl-1,2,4-triazin-3-amine
SMILESCC(C)c1cnc(N)nn1
InChIInChI=1S/C6H10N4/c1-4(2)5-3-8-6(7)10-9-5/h3-4H,1-2H3,(H2,7,8,10)
InChIKeyXFOIPCQRESUTGE-UHFFFAOYSA-N
XLogP0.58
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-1,2,4-triazin-3-amine?
The IUPAC name of 6-propan-2-yl-1,2,4-triazin-3-amine (CID 21138966) is 6-propan-2-yl-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-propan-2-yl-1,2,4-triazin-3-amine?
The canonical SMILES for 6-propan-2-yl-1,2,4-triazin-3-amine is CC(C)c1cnc(N)nn1.
What is the InChIKey of 6-propan-2-yl-1,2,4-triazin-3-amine?
The InChIKey is XFOIPCQRESUTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4/c1-4(2)5-3-8-6(7)10-9-5/h3-4H,1-2H3,(H2,7,8,10).
What are the key properties of 6-propan-2-yl-1,2,4-triazin-3-amine?
6-propan-2-yl-1,2,4-triazin-3-amine has a molecular weight of 138.17 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-1,2,4-triazin-3-amine is sourced from PubChem (CID 21138966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).