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

C12H20N4O — CID 79961387

IUPAC4-amino-1-cyclopropyl-7-propan-2-yl-1,3,7-triazaspiro[4.4]non-3-en-2-one
SMILESCC(C)N1CCC2(C1)C(N)=NC(=O)N2C1CC1
InChIInChI=1S/C12H20N4O/c1-8(2)15-6-5-12(7-15)10(13)14-11(17)16(12)9-3-4-9/h8-9H,3-7H2,1-2H3,(H2,13,14,17)
InChIKeySQSOVMAKQJAHJS-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.79
Rot. Bonds2

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

4-amino-1-cyclopropyl-7-propan-2-yl-1,3,7-triazaspiro[4.4]non-3-en-2-one (PubChem CID 79961387) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-amino-1-cyclopropyl-7-propan-2-yl-1,3,7-triazaspiro[4.4]non-3-en-2-one.

Molecular Properties

Compound Name4-amino-1-cyclopropyl-7-propan-2-yl-1,3,7-triazaspiro[4.4]non-3-en-2-one
PubChem CID79961387
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-amino-1-cyclopropyl-7-propan-2-yl-1,3,7-triazaspiro[4.4]non-3-en-2-one
SMILESCC(C)N1CCC2(C1)C(N)=NC(=O)N2C1CC1
InChIInChI=1S/C12H20N4O/c1-8(2)15-6-5-12(7-15)10(13)14-11(17)16(12)9-3-4-9/h8-9H,3-7H2,1-2H3,(H2,13,14,17)
InChIKeySQSOVMAKQJAHJS-UHFFFAOYSA-N
XLogP0.79
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-amino-1-cyclopropyl-7-propan-2-yl-1,3,7-triazaspiro[4.4]non-3-en-2-one with MolForge

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Launch Full Analysis

Related Compounds

4-amino-1-cyclopropyl-8,8-dimethyl-1,3-diazaspiro[4.4]non-3-en-2-one
CID 80700075
4-amino-1-(2-methylpropyl)-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-3-en-2-one
CID 79959475
4-amino-7-methyl-1-propan-2-yl-1,3,7-triazaspiro[4.4]non-3-en-2-one
CID 79967212
4-amino-1-cyclopropyl-7-ethyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79961206
4-amino-1,5-dicyclopropyl-5-(3-methylbutyl)imidazol-2-one
CID 114276158
4-amino-1-cyclopropyl-9-methyl-6-propan-2-yl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79960267
4-amino-8-ethyl-1-propan-2-yl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79967294
4-amino-1-propan-2-yl-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79968155
4-amino-1-cyclopropyl-6,8,8-trimethyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 81313980
4-amino-8-ethyl-1-propan-2-yl-1,3-diazaspiro[4.4]non-3-en-2-one
CID 79967026
4-amino-1-propan-2-yl-7-oxa-1,3-diazaspiro[4.4]non-3-en-2-one
CID 79967305
4-amino-1-but-3-yn-2-yl-7-cyclopropyl-8-methyl-1,3,7-triazaspiro[4.4]non-3-en-2-one
CID 114420789

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopropyl-7-propan-2-yl-1,3,7-triazaspiro[4.4]non-3-en-2-one?
The IUPAC name of 4-amino-1-cyclopropyl-7-propan-2-yl-1,3,7-triazaspiro[4.4]non-3-en-2-one (CID 79961387) is 4-amino-1-cyclopropyl-7-propan-2-yl-1,3,7-triazaspiro[4.4]non-3-en-2-one.
What is the SMILES notation for 4-amino-1-cyclopropyl-7-propan-2-yl-1,3,7-triazaspiro[4.4]non-3-en-2-one?
The canonical SMILES for 4-amino-1-cyclopropyl-7-propan-2-yl-1,3,7-triazaspiro[4.4]non-3-en-2-one is CC(C)N1CCC2(C1)C(N)=NC(=O)N2C1CC1.
What is the InChIKey of 4-amino-1-cyclopropyl-7-propan-2-yl-1,3,7-triazaspiro[4.4]non-3-en-2-one?
The InChIKey is SQSOVMAKQJAHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8(2)15-6-5-12(7-15)10(13)14-11(17)16(12)9-3-4-9/h8-9H,3-7H2,1-2H3,(H2,13,14,17).
What are the key properties of 4-amino-1-cyclopropyl-7-propan-2-yl-1,3,7-triazaspiro[4.4]non-3-en-2-one?
4-amino-1-cyclopropyl-7-propan-2-yl-1,3,7-triazaspiro[4.4]non-3-en-2-one has a molecular weight of 236.32 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclopropyl-7-propan-2-yl-1,3,7-triazaspiro[4.4]non-3-en-2-one is sourced from PubChem (CID 79961387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).