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

C14H22N6O — CID 64547718

IUPACN-[3-(1H-1,2,4-triazol-5-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NCCCc1ncn[nH]1
InChIInChI=1S/C14H22N6O/c1-10-12(11(2)20(3)19-10)6-7-14(21)15-8-4-5-13-16-9-17-18-13/h9H,4-8H2,1-3H3,(H,15,21)(H,16,17,18)
InChIKeyJHEDDFXMKRDPNM-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.84
Rot. Bonds7

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

N-[3-(1H-1,2,4-triazol-5-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 64547718) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is N-[3-(1H-1,2,4-triazol-5-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[3-(1H-1,2,4-triazol-5-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID64547718
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC NameN-[3-(1H-1,2,4-triazol-5-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NCCCc1ncn[nH]1
InChIInChI=1S/C14H22N6O/c1-10-12(11(2)20(3)19-10)6-7-14(21)15-8-4-5-13-16-9-17-18-13/h9H,4-8H2,1-3H3,(H,15,21)(H,16,17,18)
InChIKeyJHEDDFXMKRDPNM-UHFFFAOYSA-N
XLogP0.84
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.84
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-1,2,4-triazol-5-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-[3-(1H-1,2,4-triazol-5-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 64547718) is N-[3-(1H-1,2,4-triazol-5-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[3-(1H-1,2,4-triazol-5-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[3-(1H-1,2,4-triazol-5-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CCC(=O)NCCCc1ncn[nH]1.
What is the InChIKey of N-[3-(1H-1,2,4-triazol-5-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is JHEDDFXMKRDPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-10-12(11(2)20(3)19-10)6-7-14(21)15-8-4-5-13-16-9-17-18-13/h9H,4-8H2,1-3H3,(H,15,21)(H,16,17,18).
What are the key properties of N-[3-(1H-1,2,4-triazol-5-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 290.37 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-1,2,4-triazol-5-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 64547718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).