1-methyl-4-(5-methyl-2H-triazole-4-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one

C14H22N6O2 — CID 72877356

IUPAC1-methyl-4-(5-methyl-2H-triazole-4-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCc1n[nH]nc1C(=O)N1CCN(C)C2(CCNC(=O)CC2)C1
InChIInChI=1S/C14H22N6O2/c1-10-12(17-18-16-10)13(22)20-8-7-19(2)14(9-20)4-3-11(21)15-6-5-14/h3-9H2,1-2H3,(H,15,21)(H,16,17,18)
InChIKeyXFGJDVSIYRMXBI-UHFFFAOYSA-N
MW306.37 g/mol
LogP-0.46
Rot. Bonds1

About 1-methyl-4-(5-methyl-2H-triazole-4-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one

1-methyl-4-(5-methyl-2H-triazole-4-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 72877356) has the molecular formula C14H22N6O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-methyl-4-(5-methyl-2H-triazole-4-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name1-methyl-4-(5-methyl-2H-triazole-4-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID72877356
Molecular FormulaC14H22N6O2
Molecular Weight306.37 g/mol
Exact Mass306.18
IUPAC Name1-methyl-4-(5-methyl-2H-triazole-4-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCc1n[nH]nc1C(=O)N1CCN(C)C2(CCNC(=O)CC2)C1
InChIInChI=1S/C14H22N6O2/c1-10-12(17-18-16-10)13(22)20-8-7-19(2)14(9-20)4-3-11(21)15-6-5-14/h3-9H2,1-2H3,(H,15,21)(H,16,17,18)
InChIKeyXFGJDVSIYRMXBI-UHFFFAOYSA-N
XLogP-0.46
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-methyl-4-(5-methyl-2H-triazole-4-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one with MolForge

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Related Compounds

N-[(1-isobutylpiperidin-4-yl)methyl]-5-methyl-2H-1,2,3-triazole-4-carboxamide
CID 118773788
7-ethyl-2-[(5-methyl-2H-1,2,3-triazol-4-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72870404
(5R)-7-ethyl-2-(5-methyl-2H-triazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97123639
(5S)-7-ethyl-2-(5-methyl-2H-triazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97123640
(6S)-1-methyl-4-(5-methyl-2H-triazole-4-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97126670
(6R)-1-methyl-4-(5-methyl-2H-triazole-4-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97126671
(4-methylpiperidin-1-yl)-(5-methyl-2H-triazol-4-yl)methanone
CID 110691632
1-(5-methyl-2H-triazole-4-carbonyl)piperidine-4-carboxamide
CID 110691678
(3-methylpiperidin-1-yl)-(5-methyl-2H-triazol-4-yl)methanone
CID 110691713
(8-syn)-N,N-dimethyl-3-[(5-methyl-2H-1,2,3-triazol-4-yl)carbonyl]-3-azabicyclo[3.2.1]octan-8-amine
CID 118761935
N-[(1-Cyclopentylpiperidin-4-YL)methyl]-5-methyl-2H-1,2,3-triazole-4-carboxamide
CID 118762176
5-Methyl-N-[1-(piperidin-1-ylmethyl)cyclopropyl]-2H-1,2,3-triazole-4-carboxamide
CID 118764040

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(5-methyl-2H-triazole-4-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of 1-methyl-4-(5-methyl-2H-triazole-4-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 72877356) is 1-methyl-4-(5-methyl-2H-triazole-4-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 1-methyl-4-(5-methyl-2H-triazole-4-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 1-methyl-4-(5-methyl-2H-triazole-4-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one is Cc1n[nH]nc1C(=O)N1CCN(C)C2(CCNC(=O)CC2)C1.
What is the InChIKey of 1-methyl-4-(5-methyl-2H-triazole-4-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is XFGJDVSIYRMXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O2/c1-10-12(17-18-16-10)13(22)20-8-7-19(2)14(9-20)4-3-11(21)15-6-5-14/h3-9H2,1-2H3,(H,15,21)(H,16,17,18).
What are the key properties of 1-methyl-4-(5-methyl-2H-triazole-4-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
1-methyl-4-(5-methyl-2H-triazole-4-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 306.37 g/mol, XLogP of -0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(5-methyl-2H-triazole-4-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 72877356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).