4-(methylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide;dihydrochloride

C11H17Cl2N5O — CID 119856894

IUPAC4-(methylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide;dihydrochloride
SMILESCNCCCC(=O)Nc1nnc2ccccn12.Cl.Cl
InChIInChI=1S/C11H15N5O.2ClH/c1-12-7-4-6-10(17)13-11-15-14-9-5-2-3-8-16(9)11;;/h2-3,5,8,12H,4,6-7H2,1H3,(H,13,15,17);2*1H
InChIKeyIHPQJUAFBGZQSU-UHFFFAOYSA-N
MW306.20 g/mol
LogP1.51
Rot. Bonds5

About 4-(methylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide;dihydrochloride

4-(methylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide;dihydrochloride (PubChem CID 119856894) has the molecular formula C11H17Cl2N5O and a molecular weight of 306.20 g/mol. Its IUPAC name is 4-(methylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide;dihydrochloride.

Molecular Properties

Compound Name4-(methylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide;dihydrochloride
PubChem CID119856894
Molecular FormulaC11H17Cl2N5O
Molecular Weight306.20 g/mol
Exact Mass305.08
IUPAC Name4-(methylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide;dihydrochloride
SMILESCNCCCC(=O)Nc1nnc2ccccn12.Cl.Cl
InChIInChI=1S/C11H15N5O.2ClH/c1-12-7-4-6-10(17)13-11-15-14-9-5-2-3-8-16(9)11;;/h2-3,5,8,12H,4,6-7H2,1H3,(H,13,15,17);2*1H
InChIKeyIHPQJUAFBGZQSU-UHFFFAOYSA-N
XLogP1.51
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide
CID 38999513
2-ethoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide
CID 53204392
2-(1-hydroxycyclopentyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide
CID 111536814
4-(methylamino)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]butanamide
CID 119837156
4-oxo-4-(4-propylpiperazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide
CID 53204318
4-(methylamino)-N-phenylbutanamide;hydrochloride
CID 75493451
N-[(2,5-dimethoxyphenyl)methyl]-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide
CID 53204352
4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide
CID 53204329
ethyl 2-oxo-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)acetate
CID 110471107
2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)hexanamide
CID 53204403
3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide
CID 95932644
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide;dihydrochloride
CID 119856904

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide;dihydrochloride?
The IUPAC name of 4-(methylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide;dihydrochloride (CID 119856894) is 4-(methylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide;dihydrochloride.
What is the SMILES notation for 4-(methylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide;dihydrochloride?
The canonical SMILES for 4-(methylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide;dihydrochloride is CNCCCC(=O)Nc1nnc2ccccn12.Cl.Cl.
What is the InChIKey of 4-(methylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide;dihydrochloride?
The InChIKey is IHPQJUAFBGZQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O.2ClH/c1-12-7-4-6-10(17)13-11-15-14-9-5-2-3-8-16(9)11;;/h2-3,5,8,12H,4,6-7H2,1H3,(H,13,15,17);2*1H.
What are the key properties of 4-(methylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide;dihydrochloride?
4-(methylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide;dihydrochloride has a molecular weight of 306.20 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide;dihydrochloride is sourced from PubChem (CID 119856894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).