1-methyl-4-(1-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one

C19H29N5O2 — CID 72904697

IUPAC1-methyl-4-(1-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCN(C(=O)c2nn(C)c3c2CCCC3)CC12CCNC(=O)CC2
InChIInChI=1S/C19H29N5O2/c1-22-11-12-24(13-19(22)8-7-16(25)20-10-9-19)18(26)17-14-5-3-4-6-15(14)23(2)21-17/h3-13H2,1-2H3,(H,20,25)
InChIKeyABNQOVSPNWZVMT-UHFFFAOYSA-N
MW359.47 g/mol
LogP0.73
Rot. Bonds1

About 1-methyl-4-(1-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one

1-methyl-4-(1-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 72904697) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-methyl-4-(1-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name1-methyl-4-(1-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID72904697
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name1-methyl-4-(1-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCN(C(=O)c2nn(C)c3c2CCCC3)CC12CCNC(=O)CC2
InChIInChI=1S/C19H29N5O2/c1-22-11-12-24(13-19(22)8-7-16(25)20-10-9-19)18(26)17-14-5-3-4-6-15(14)23(2)21-17/h3-13H2,1-2H3,(H,20,25)
InChIKeyABNQOVSPNWZVMT-UHFFFAOYSA-N
XLogP0.73
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of 1-methyl-4-(1-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 72904697) is 1-methyl-4-(1-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 1-methyl-4-(1-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 1-methyl-4-(1-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one is CN1CCN(C(=O)c2nn(C)c3c2CCCC3)CC12CCNC(=O)CC2.
What is the InChIKey of 1-methyl-4-(1-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is ABNQOVSPNWZVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-22-11-12-24(13-19(22)8-7-16(25)20-10-9-19)18(26)17-14-5-3-4-6-15(14)23(2)21-17/h3-13H2,1-2H3,(H,20,25).
What are the key properties of 1-methyl-4-(1-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
1-methyl-4-(1-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 359.47 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 72904697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).