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

C14H23N7 — CID 128969620

IUPAC2-(5-methyl-1H-1,2,4-triazol-3-yl)-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidine
SMILESCCCn1ncnc1CN1CCCCC1c1n[nH]c(C)n1
InChIInChI=1S/C14H23N7/c1-3-7-21-13(15-10-16-21)9-20-8-5-4-6-12(20)14-17-11(2)18-19-14/h10,12H,3-9H2,1-2H3,(H,17,18,19)
InChIKeyWGMQRXCAOMVVEP-UHFFFAOYSA-N
MW289.39 g/mol
LogP1.84
Rot. Bonds5

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

2-(5-methyl-1H-1,2,4-triazol-3-yl)-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidine (PubChem CID 128969620) has the molecular formula C14H23N7 and a molecular weight of 289.39 g/mol. Its IUPAC name is 2-(5-methyl-1H-1,2,4-triazol-3-yl)-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidine.

Molecular Properties

Compound Name2-(5-methyl-1H-1,2,4-triazol-3-yl)-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidine
PubChem CID128969620
Molecular FormulaC14H23N7
Molecular Weight289.39 g/mol
Exact Mass289.20
IUPAC Name2-(5-methyl-1H-1,2,4-triazol-3-yl)-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidine
SMILESCCCn1ncnc1CN1CCCCC1c1n[nH]c(C)n1
InChIInChI=1S/C14H23N7/c1-3-7-21-13(15-10-16-21)9-20-8-5-4-6-12(20)14-17-11(2)18-19-14/h10,12H,3-9H2,1-2H3,(H,17,18,19)
InChIKeyWGMQRXCAOMVVEP-UHFFFAOYSA-N
XLogP1.84
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-1,2,4-triazol-3-yl)-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidine?
The IUPAC name of 2-(5-methyl-1H-1,2,4-triazol-3-yl)-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidine (CID 128969620) is 2-(5-methyl-1H-1,2,4-triazol-3-yl)-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidine.
What is the SMILES notation for 2-(5-methyl-1H-1,2,4-triazol-3-yl)-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidine?
The canonical SMILES for 2-(5-methyl-1H-1,2,4-triazol-3-yl)-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidine is CCCn1ncnc1CN1CCCCC1c1n[nH]c(C)n1.
What is the InChIKey of 2-(5-methyl-1H-1,2,4-triazol-3-yl)-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidine?
The InChIKey is WGMQRXCAOMVVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7/c1-3-7-21-13(15-10-16-21)9-20-8-5-4-6-12(20)14-17-11(2)18-19-14/h10,12H,3-9H2,1-2H3,(H,17,18,19).
What are the key properties of 2-(5-methyl-1H-1,2,4-triazol-3-yl)-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidine?
2-(5-methyl-1H-1,2,4-triazol-3-yl)-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidine has a molecular weight of 289.39 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-1,2,4-triazol-3-yl)-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidine is sourced from PubChem (CID 128969620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).