4-amino-7-methyl-1-propan-2-yl-1,3,7-triazaspiro[4.4]non-3-en-2-one

C10H18N4O — CID 79967212

IUPAC4-amino-7-methyl-1-propan-2-yl-1,3,7-triazaspiro[4.4]non-3-en-2-one
SMILESCC(C)N1C(=O)N=C(N)C12CCN(C)C2
InChIInChI=1S/C10H18N4O/c1-7(2)14-9(15)12-8(11)10(14)4-5-13(3)6-10/h7H,4-6H2,1-3H3,(H2,11,12,15)
InChIKeyVXIQNKAXYWRORC-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.26
Rot. Bonds1

About 4-amino-7-methyl-1-propan-2-yl-1,3,7-triazaspiro[4.4]non-3-en-2-one

4-amino-7-methyl-1-propan-2-yl-1,3,7-triazaspiro[4.4]non-3-en-2-one (PubChem CID 79967212) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-amino-7-methyl-1-propan-2-yl-1,3,7-triazaspiro[4.4]non-3-en-2-one.

Molecular Properties

Compound Name4-amino-7-methyl-1-propan-2-yl-1,3,7-triazaspiro[4.4]non-3-en-2-one
PubChem CID79967212
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name4-amino-7-methyl-1-propan-2-yl-1,3,7-triazaspiro[4.4]non-3-en-2-one
SMILESCC(C)N1C(=O)N=C(N)C12CCN(C)C2
InChIInChI=1S/C10H18N4O/c1-7(2)14-9(15)12-8(11)10(14)4-5-13(3)6-10/h7H,4-6H2,1-3H3,(H2,11,12,15)
InChIKeyVXIQNKAXYWRORC-UHFFFAOYSA-N
XLogP0.26
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-7-methyl-1-propan-2-yl-1,3,7-triazaspiro[4.4]non-3-en-2-one?
The IUPAC name of 4-amino-7-methyl-1-propan-2-yl-1,3,7-triazaspiro[4.4]non-3-en-2-one (CID 79967212) is 4-amino-7-methyl-1-propan-2-yl-1,3,7-triazaspiro[4.4]non-3-en-2-one.
What is the SMILES notation for 4-amino-7-methyl-1-propan-2-yl-1,3,7-triazaspiro[4.4]non-3-en-2-one?
The canonical SMILES for 4-amino-7-methyl-1-propan-2-yl-1,3,7-triazaspiro[4.4]non-3-en-2-one is CC(C)N1C(=O)N=C(N)C12CCN(C)C2.
What is the InChIKey of 4-amino-7-methyl-1-propan-2-yl-1,3,7-triazaspiro[4.4]non-3-en-2-one?
The InChIKey is VXIQNKAXYWRORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-7(2)14-9(15)12-8(11)10(14)4-5-13(3)6-10/h7H,4-6H2,1-3H3,(H2,11,12,15).
What are the key properties of 4-amino-7-methyl-1-propan-2-yl-1,3,7-triazaspiro[4.4]non-3-en-2-one?
4-amino-7-methyl-1-propan-2-yl-1,3,7-triazaspiro[4.4]non-3-en-2-one has a molecular weight of 210.28 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-methyl-1-propan-2-yl-1,3,7-triazaspiro[4.4]non-3-en-2-one is sourced from PubChem (CID 79967212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).