1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-propyl-1,2,4-triazol-3-yl)piperidine

C16H26N6 — CID 53192762

IUPAC1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-propyl-1,2,4-triazol-3-yl)piperidine
SMILESCCCn1cnnc1C1CCCN(Cc2cnn(C)c2C)C1
InChIInChI=1S/C16H26N6/c1-4-7-22-12-17-19-16(22)14-6-5-8-21(10-14)11-15-9-18-20(3)13(15)2/h9,12,14H,4-8,10-11H2,1-3H3
InChIKeyHFFNRJYCPVHKAP-UHFFFAOYSA-N
MW302.43 g/mol
LogP2.11
Rot. Bonds5

About 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-propyl-1,2,4-triazol-3-yl)piperidine

1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-propyl-1,2,4-triazol-3-yl)piperidine (PubChem CID 53192762) has the molecular formula C16H26N6 and a molecular weight of 302.43 g/mol. Its IUPAC name is 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-propyl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-propyl-1,2,4-triazol-3-yl)piperidine
PubChem CID53192762
Molecular FormulaC16H26N6
Molecular Weight302.43 g/mol
Exact Mass302.22
IUPAC Name1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-propyl-1,2,4-triazol-3-yl)piperidine
SMILESCCCn1cnnc1C1CCCN(Cc2cnn(C)c2C)C1
InChIInChI=1S/C16H26N6/c1-4-7-22-12-17-19-16(22)14-6-5-8-21(10-14)11-15-9-18-20(3)13(15)2/h9,12,14H,4-8,10-11H2,1-3H3
InChIKeyHFFNRJYCPVHKAP-UHFFFAOYSA-N
XLogP2.11
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-propyl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-propyl-1,2,4-triazol-3-yl)piperidine (CID 53192762) is 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-propyl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-propyl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-propyl-1,2,4-triazol-3-yl)piperidine is CCCn1cnnc1C1CCCN(Cc2cnn(C)c2C)C1.
What is the InChIKey of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-propyl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is HFFNRJYCPVHKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6/c1-4-7-22-12-17-19-16(22)14-6-5-8-21(10-14)11-15-9-18-20(3)13(15)2/h9,12,14H,4-8,10-11H2,1-3H3.
What are the key properties of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-propyl-1,2,4-triazol-3-yl)piperidine?
1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-propyl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 302.43 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-propyl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 53192762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).