N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)pyridazine-4-carboxamide

C13H16N6O — CID 91922610

IUPACN-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)pyridazine-4-carboxamide
SMILESCc1nnc2n1CCC(NC(=O)c1ccnnc1)CC2
InChIInChI=1S/C13H16N6O/c1-9-17-18-12-3-2-11(5-7-19(9)12)16-13(20)10-4-6-14-15-8-10/h4,6,8,11H,2-3,5,7H2,1H3,(H,16,20)
InChIKeyKXYSHYSZCRSTCN-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.51
Rot. Bonds2

About N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)pyridazine-4-carboxamide

N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)pyridazine-4-carboxamide (PubChem CID 91922610) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)pyridazine-4-carboxamide
PubChem CID91922610
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC NameN-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)pyridazine-4-carboxamide
SMILESCc1nnc2n1CCC(NC(=O)c1ccnnc1)CC2
InChIInChI=1S/C13H16N6O/c1-9-17-18-12-3-2-11(5-7-19(9)12)16-13(20)10-4-6-14-15-8-10/h4,6,8,11H,2-3,5,7H2,1H3,(H,16,20)
InChIKeyKXYSHYSZCRSTCN-UHFFFAOYSA-N
XLogP0.51
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)pyridazine-4-carboxamide with MolForge

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Related Compounds

N-(1-ethylsulfonylpiperidin-4-yl)pyridazine-4-carboxamide
CID 127667132
N-cyclohexylpyridazine-4-carboxamide
CID 112701044
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]pyridazine-4-carboxamide
CID 104670473
N-(4-aminocyclohexyl)pyridazine-4-carboxamide
CID 104670019
N,3-dimethyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-amine;hydrochloride
CID 146064722
1-(furan-2-ylmethyl)-3-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)urea
CID 91910732
N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 54579739
N-[(3S)-1-(2-bromophenyl)pyrrolidin-3-yl]pyridazine-4-carboxamide
CID 124573736
N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-phenylimidazole-4-carboxamide
CID 86772269
[3-(methylamino)pyrrolidin-1-yl]-pyridazin-4-ylmethanone
CID 104671679
N-(1-iodopiperidin-4-yl)-4-methylbenzamide
CID 148698295
N-(1-chloropiperidin-4-yl)-4-fluorobenzamide
CID 89224691

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)pyridazine-4-carboxamide?
The IUPAC name of N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)pyridazine-4-carboxamide (CID 91922610) is N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)pyridazine-4-carboxamide.
What is the SMILES notation for N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)pyridazine-4-carboxamide?
The canonical SMILES for N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)pyridazine-4-carboxamide is Cc1nnc2n1CCC(NC(=O)c1ccnnc1)CC2.
What is the InChIKey of N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)pyridazine-4-carboxamide?
The InChIKey is KXYSHYSZCRSTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c1-9-17-18-12-3-2-11(5-7-19(9)12)16-13(20)10-4-6-14-15-8-10/h4,6,8,11H,2-3,5,7H2,1H3,(H,16,20).
What are the key properties of N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)pyridazine-4-carboxamide?
N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)pyridazine-4-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)pyridazine-4-carboxamide is sourced from PubChem (CID 91922610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).