5-methyl-4-[(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]furan-2-carbohydrazide

C13H17N5O3 — CID 63580010

IUPAC5-methyl-4-[(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]furan-2-carbohydrazide
SMILESCc1oc(C(=O)NN)cc1Cn1nc2n(c1=O)CCCC2
InChIInChI=1S/C13H17N5O3/c1-8-9(6-10(21-8)12(19)15-14)7-18-13(20)17-5-3-2-4-11(17)16-18/h6H,2-5,7,14H2,1H3,(H,15,19)
InChIKeySWKQJNBLYYLOIY-UHFFFAOYSA-N
MW291.31 g/mol
LogP-0.07
Rot. Bonds3

About 5-methyl-4-[(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]furan-2-carbohydrazide

5-methyl-4-[(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]furan-2-carbohydrazide (PubChem CID 63580010) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 5-methyl-4-[(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-methyl-4-[(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]furan-2-carbohydrazide
PubChem CID63580010
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name5-methyl-4-[(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]furan-2-carbohydrazide
SMILESCc1oc(C(=O)NN)cc1Cn1nc2n(c1=O)CCCC2
InChIInChI=1S/C13H17N5O3/c1-8-9(6-10(21-8)12(19)15-14)7-18-13(20)17-5-3-2-4-11(17)16-18/h6H,2-5,7,14H2,1H3,(H,15,19)
InChIKeySWKQJNBLYYLOIY-UHFFFAOYSA-N
XLogP-0.07
TPSA108.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

4-(azocan-1-ylmethyl)-5-methylfuran-2-carbohydrazide
CID 63570994
2-methyl-5-[(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]furan-3-carboxylic acid
CID 62937681
5-[(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]furan-2-carboxylic acid
CID 62937679
5-methyl-4-(piperazin-1-ylmethyl)furan-2-carbohydrazide
CID 63583235
methyl 4-[(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzoate
CID 62937153
2-[(2-amino-4-chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62935944
[2-fluoro-5-[(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]boronic acid
CID 62936487
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-methylfuran-2-carbohydrazide
CID 63568697
4-[(3,5-dioxomorpholin-4-yl)methyl]-5-methylfuran-2-carbohydrazide
CID 63577829
2-[(4-hydrazinyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 79260300
5-methyl-4-[(3-methyl-2-oxopiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 104680451
4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-carbohydrazide
CID 63572887

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]furan-2-carbohydrazide?
The IUPAC name of 5-methyl-4-[(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]furan-2-carbohydrazide (CID 63580010) is 5-methyl-4-[(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-methyl-4-[(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]furan-2-carbohydrazide?
The canonical SMILES for 5-methyl-4-[(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]furan-2-carbohydrazide is Cc1oc(C(=O)NN)cc1Cn1nc2n(c1=O)CCCC2.
What is the InChIKey of 5-methyl-4-[(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]furan-2-carbohydrazide?
The InChIKey is SWKQJNBLYYLOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-8-9(6-10(21-8)12(19)15-14)7-18-13(20)17-5-3-2-4-11(17)16-18/h6H,2-5,7,14H2,1H3,(H,15,19).
What are the key properties of 5-methyl-4-[(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]furan-2-carbohydrazide?
5-methyl-4-[(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]furan-2-carbohydrazide has a molecular weight of 291.31 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 63580010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).