1-cyclopropyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethane-1,2-diamine

C12H17N5 — CID 113282278

IUPAC1-cyclopropyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethane-1,2-diamine
SMILESCc1cccc2nc(NCC(N)C3CC3)nn12
InChIInChI=1S/C12H17N5/c1-8-3-2-4-11-15-12(16-17(8)11)14-7-10(13)9-5-6-9/h2-4,9-10H,5-7,13H2,1H3,(H,14,16)
InChIKeyBUIZAEKBUATONG-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.19
Rot. Bonds4

About 1-cyclopropyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethane-1,2-diamine

1-cyclopropyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethane-1,2-diamine (PubChem CID 113282278) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-cyclopropyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethane-1,2-diamine
PubChem CID113282278
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name1-cyclopropyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethane-1,2-diamine
SMILESCc1cccc2nc(NCC(N)C3CC3)nn12
InChIInChI=1S/C12H17N5/c1-8-3-2-4-11-15-12(16-17(8)11)14-7-10(13)9-5-6-9/h2-4,9-10H,5-7,13H2,1H3,(H,14,16)
InChIKeyBUIZAEKBUATONG-UHFFFAOYSA-N
XLogP1.19
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethane-1,2-diamine (CID 113282278) is 1-cyclopropyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethane-1,2-diamine is Cc1cccc2nc(NCC(N)C3CC3)nn12.
What is the InChIKey of 1-cyclopropyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethane-1,2-diamine?
The InChIKey is BUIZAEKBUATONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-8-3-2-4-11-15-12(16-17(8)11)14-7-10(13)9-5-6-9/h2-4,9-10H,5-7,13H2,1H3,(H,14,16).
What are the key properties of 1-cyclopropyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethane-1,2-diamine?
1-cyclopropyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethane-1,2-diamine has a molecular weight of 231.30 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 113282278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).