N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C13H20N6O — CID 64532011

IUPACN-[2-(1H-1,2,4-triazol-5-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NCCc1ncn[nH]1
InChIInChI=1S/C13H20N6O/c1-9-11(10(2)19(3)18-9)4-5-13(20)14-7-6-12-15-8-16-17-12/h8H,4-7H2,1-3H3,(H,14,20)(H,15,16,17)
InChIKeyOCCRWNIQBZEOOK-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.45
Rot. Bonds6

About N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 64532011) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[2-(1H-1,2,4-triazol-5-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID64532011
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC NameN-[2-(1H-1,2,4-triazol-5-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NCCc1ncn[nH]1
InChIInChI=1S/C13H20N6O/c1-9-11(10(2)19(3)18-9)4-5-13(20)14-7-6-12-15-8-16-17-12/h8H,4-7H2,1-3H3,(H,14,20)(H,15,16,17)
InChIKeyOCCRWNIQBZEOOK-UHFFFAOYSA-N
XLogP0.45
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 64532011) is N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CCC(=O)NCCc1ncn[nH]1.
What is the InChIKey of N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is OCCRWNIQBZEOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-9-11(10(2)19(3)18-9)4-5-13(20)14-7-6-12-15-8-16-17-12/h8H,4-7H2,1-3H3,(H,14,20)(H,15,16,17).
What are the key properties of N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 276.34 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 64532011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).