5-chloro-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine

C14H19ClN4 — CID 117141708

IUPAC5-chloro-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)N1CCCC1Cc1nnc2cccc(Cl)n12
InChIInChI=1S/C14H19ClN4/c1-10(2)18-8-4-5-11(18)9-14-17-16-13-7-3-6-12(15)19(13)14/h3,6-7,10-11H,4-5,8-9H2,1-2H3
InChIKeyPDROWBFHZZNOSJ-UHFFFAOYSA-N
MW278.79 g/mol
LogP2.80
Rot. Bonds3

About 5-chloro-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine

5-chloro-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117141708) has the molecular formula C14H19ClN4 and a molecular weight of 278.79 g/mol. Its IUPAC name is 5-chloro-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name5-chloro-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117141708
Molecular FormulaC14H19ClN4
Molecular Weight278.79 g/mol
Exact Mass278.13
IUPAC Name5-chloro-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)N1CCCC1Cc1nnc2cccc(Cl)n12
InChIInChI=1S/C14H19ClN4/c1-10(2)18-8-4-5-11(18)9-14-17-16-13-7-3-6-12(15)19(13)14/h3,6-7,10-11H,4-5,8-9H2,1-2H3
InChIKeyPDROWBFHZZNOSJ-UHFFFAOYSA-N
XLogP2.80
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117141686
8-methyl-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117146664
5-chloro-3-[(1-ethylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117141402
8-methyl-3-[(1-propan-2-ylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117146723
[3-[(1-propan-2-ylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 117138303
4-[2-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]morpholine
CID 117142388
3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[1,5-a]pyridine
CID 117139243
2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117129844
5-methoxy-3-[(1-propan-2-ylpiperidin-2-yl)methyl]imidazo[1,5-a]pyridine
CID 117140512
2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 117132108
3-[(1-propan-2-ylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-amine
CID 117151456
3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[1,5-a]pyridin-8-amine
CID 117146657

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 5-chloro-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 117141708) is 5-chloro-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 5-chloro-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 5-chloro-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine is CC(C)N1CCCC1Cc1nnc2cccc(Cl)n12.
What is the InChIKey of 5-chloro-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is PDROWBFHZZNOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4/c1-10(2)18-8-4-5-11(18)9-14-17-16-13-7-3-6-12(15)19(13)14/h3,6-7,10-11H,4-5,8-9H2,1-2H3.
What are the key properties of 5-chloro-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
5-chloro-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 278.79 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117141708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).