3-[4-(3-ethyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]propylphosphane

C15H29N4P — CID 143691596

IUPAC3-[4-(3-ethyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]propylphosphane
SMILESCCc1nnc(C(C)C)n1C1CCN(CCCP)CC1
InChIInChI=1S/C15H29N4P/c1-4-14-16-17-15(12(2)3)19(14)13-6-9-18(10-7-13)8-5-11-20/h12-13H,4-11,20H2,1-3H3
InChIKeyQLTLYRWBGUMZHZ-UHFFFAOYSA-N
MW296.40 g/mol
LogP2.87
Rot. Bonds6

About 3-[4-(3-ethyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]propylphosphane

3-[4-(3-ethyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]propylphosphane (PubChem CID 143691596) has the molecular formula C15H29N4P and a molecular weight of 296.40 g/mol. Its IUPAC name is 3-[4-(3-ethyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]propylphosphane.

Molecular Properties

Compound Name3-[4-(3-ethyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]propylphosphane
PubChem CID143691596
Molecular FormulaC15H29N4P
Molecular Weight296.40 g/mol
Exact Mass296.21
IUPAC Name3-[4-(3-ethyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]propylphosphane
SMILESCCc1nnc(C(C)C)n1C1CCN(CCCP)CC1
InChIInChI=1S/C15H29N4P/c1-4-14-16-17-15(12(2)3)19(14)13-6-9-18(10-7-13)8-5-11-20/h12-13H,4-11,20H2,1-3H3
InChIKeyQLTLYRWBGUMZHZ-UHFFFAOYSA-N
XLogP2.87
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-ethyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]propylphosphane?
The IUPAC name of 3-[4-(3-ethyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]propylphosphane (CID 143691596) is 3-[4-(3-ethyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]propylphosphane.
What is the SMILES notation for 3-[4-(3-ethyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]propylphosphane?
The canonical SMILES for 3-[4-(3-ethyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]propylphosphane is CCc1nnc(C(C)C)n1C1CCN(CCCP)CC1.
What is the InChIKey of 3-[4-(3-ethyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]propylphosphane?
The InChIKey is QLTLYRWBGUMZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N4P/c1-4-14-16-17-15(12(2)3)19(14)13-6-9-18(10-7-13)8-5-11-20/h12-13H,4-11,20H2,1-3H3.
What are the key properties of 3-[4-(3-ethyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]propylphosphane?
3-[4-(3-ethyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]propylphosphane has a molecular weight of 296.40 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-ethyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]propylphosphane is sourced from PubChem (CID 143691596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).