(1R,5R)-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3-azabicyclo[3.3.1]nonane

C14H24N4 — CID 91842320

IUPAC(1R,5R)-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3-azabicyclo[3.3.1]nonane
SMILESCC(C)n1cnnc1CN1C[C@@H]2CCC[C@H](C2)C1
InChIInChI=1S/C14H24N4/c1-11(2)18-10-15-16-14(18)9-17-7-12-4-3-5-13(6-12)8-17/h10-13H,3-9H2,1-2H3/t12-,13-/m1/s1
InChIKeyQFTDZQMYCAIGEH-CHWSQXEVSA-N
MW248.37 g/mol
LogP2.48
Rot. Bonds3

About (1R,5R)-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3-azabicyclo[3.3.1]nonane

(1R,5R)-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3-azabicyclo[3.3.1]nonane (PubChem CID 91842320) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is (1R,5R)-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name(1R,5R)-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3-azabicyclo[3.3.1]nonane
PubChem CID91842320
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name(1R,5R)-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3-azabicyclo[3.3.1]nonane
SMILESCC(C)n1cnnc1CN1C[C@@H]2CCC[C@H](C2)C1
InChIInChI=1S/C14H24N4/c1-11(2)18-10-15-16-14(18)9-17-7-12-4-3-5-13(6-12)8-17/h10-13H,3-9H2,1-2H3/t12-,13-/m1/s1
InChIKeyQFTDZQMYCAIGEH-CHWSQXEVSA-N
XLogP2.48
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,5R)-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3-azabicyclo[3.3.1]nonane?
The IUPAC name of (1R,5R)-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3-azabicyclo[3.3.1]nonane (CID 91842320) is (1R,5R)-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3-azabicyclo[3.3.1]nonane.
What is the SMILES notation for (1R,5R)-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3-azabicyclo[3.3.1]nonane?
The canonical SMILES for (1R,5R)-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3-azabicyclo[3.3.1]nonane is CC(C)n1cnnc1CN1C[C@@H]2CCC[C@H](C2)C1.
What is the InChIKey of (1R,5R)-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3-azabicyclo[3.3.1]nonane?
The InChIKey is QFTDZQMYCAIGEH-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H24N4/c1-11(2)18-10-15-16-14(18)9-17-7-12-4-3-5-13(6-12)8-17/h10-13H,3-9H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of (1R,5R)-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3-azabicyclo[3.3.1]nonane?
(1R,5R)-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3-azabicyclo[3.3.1]nonane has a molecular weight of 248.37 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 91842320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).