4-methylidene-5-propan-2-yl-1,3,5-triazin-2-amine

C7H12N4 — CID 90244098

IUPAC4-methylidene-5-propan-2-yl-1,3,5-triazin-2-amine
SMILESC=C1N=C(N)N=CN1C(C)C
InChIInChI=1S/C7H12N4/c1-5(2)11-4-9-7(8)10-6(11)3/h4-5H,3H2,1-2H3,(H2,8,10)
InChIKeyRFHNFOBWNFRYIG-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.52
Rot. Bonds1

About 4-methylidene-5-propan-2-yl-1,3,5-triazin-2-amine

4-methylidene-5-propan-2-yl-1,3,5-triazin-2-amine (PubChem CID 90244098) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 4-methylidene-5-propan-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methylidene-5-propan-2-yl-1,3,5-triazin-2-amine
PubChem CID90244098
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name4-methylidene-5-propan-2-yl-1,3,5-triazin-2-amine
SMILESC=C1N=C(N)N=CN1C(C)C
InChIInChI=1S/C7H12N4/c1-5(2)11-4-9-7(8)10-6(11)3/h4-5H,3H2,1-2H3,(H2,8,10)
InChIKeyRFHNFOBWNFRYIG-UHFFFAOYSA-N
XLogP0.52
TPSA53.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methylidene-5-propan-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-methylidene-5-propan-2-yl-1,3,5-triazin-2-amine (CID 90244098) is 4-methylidene-5-propan-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methylidene-5-propan-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methylidene-5-propan-2-yl-1,3,5-triazin-2-amine is C=C1N=C(N)N=CN1C(C)C.
What is the InChIKey of 4-methylidene-5-propan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is RFHNFOBWNFRYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-5(2)11-4-9-7(8)10-6(11)3/h4-5H,3H2,1-2H3,(H2,8,10).
What are the key properties of 4-methylidene-5-propan-2-yl-1,3,5-triazin-2-amine?
4-methylidene-5-propan-2-yl-1,3,5-triazin-2-amine has a molecular weight of 152.20 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-5-propan-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 90244098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).