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

C16H24N6 — CID 53192281

IUPAC4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine
SMILESCc1nn(C)cc1CN1CCC(c2nc(C3CC3)n[nH]2)CC1
InChIInChI=1S/C16H24N6/c1-11-14(9-21(2)20-11)10-22-7-5-13(6-8-22)16-17-15(18-19-16)12-3-4-12/h9,12-13H,3-8,10H2,1-2H3,(H,17,18,19)
InChIKeyMAAFVFDCBDFKOY-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.10
Rot. Bonds4

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

4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine (PubChem CID 53192281) has the molecular formula C16H24N6 and a molecular weight of 300.41 g/mol. Its IUPAC name is 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine.

Molecular Properties

Compound Name4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine
PubChem CID53192281
Molecular FormulaC16H24N6
Molecular Weight300.41 g/mol
Exact Mass300.21
IUPAC Name4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine
SMILESCc1nn(C)cc1CN1CCC(c2nc(C3CC3)n[nH]2)CC1
InChIInChI=1S/C16H24N6/c1-11-14(9-21(2)20-11)10-22-7-5-13(6-8-22)16-17-15(18-19-16)12-3-4-12/h9,12-13H,3-8,10H2,1-2H3,(H,17,18,19)
InChIKeyMAAFVFDCBDFKOY-UHFFFAOYSA-N
XLogP2.10
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine?
The IUPAC name of 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine (CID 53192281) is 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine.
What is the SMILES notation for 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine?
The canonical SMILES for 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine is Cc1nn(C)cc1CN1CCC(c2nc(C3CC3)n[nH]2)CC1.
What is the InChIKey of 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine?
The InChIKey is MAAFVFDCBDFKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6/c1-11-14(9-21(2)20-11)10-22-7-5-13(6-8-22)16-17-15(18-19-16)12-3-4-12/h9,12-13H,3-8,10H2,1-2H3,(H,17,18,19).
What are the key properties of 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine?
4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine has a molecular weight of 300.41 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine is sourced from PubChem (CID 53192281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).