5-(3-methyl-1,2,4-triazol-1-yl)-1-azabicyclo[3.2.1]octane

C10H16N4 — CID 15663678

IUPAC5-(3-methyl-1,2,4-triazol-1-yl)-1-azabicyclo[3.2.1]octane
SMILESCc1ncn(C23CCCN(CC2)C3)n1
InChIInChI=1S/C10H16N4/c1-9-11-8-14(12-9)10-3-2-5-13(7-10)6-4-10/h8H,2-7H2,1H3
InChIKeyCLWFPRVOBCWLCZ-UHFFFAOYSA-N
MW192.27 g/mol
LogP0.78
Rot. Bonds1

About 5-(3-methyl-1,2,4-triazol-1-yl)-1-azabicyclo[3.2.1]octane

5-(3-methyl-1,2,4-triazol-1-yl)-1-azabicyclo[3.2.1]octane (PubChem CID 15663678) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 5-(3-methyl-1,2,4-triazol-1-yl)-1-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name5-(3-methyl-1,2,4-triazol-1-yl)-1-azabicyclo[3.2.1]octane
PubChem CID15663678
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name5-(3-methyl-1,2,4-triazol-1-yl)-1-azabicyclo[3.2.1]octane
SMILESCc1ncn(C23CCCN(CC2)C3)n1
InChIInChI=1S/C10H16N4/c1-9-11-8-14(12-9)10-3-2-5-13(7-10)6-4-10/h8H,2-7H2,1H3
InChIKeyCLWFPRVOBCWLCZ-UHFFFAOYSA-N
XLogP0.78
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 15663642
CID 15663642
CID 15663651
CID 15663651
CID 15663657
CID 15663657
CID 44317485
CID 44317485
CID 56711732
CID 56711732
CID 77083983
CID 77083983
CID 126793839
CID 126793839
CID 129349412
CID 129349412
CID 129349413
CID 129349413
CID 56750221
CID 56750221
CID 19610915
CID 19610915
CID 19610926
CID 19610926

Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-1,2,4-triazol-1-yl)-1-azabicyclo[3.2.1]octane?
The IUPAC name of 5-(3-methyl-1,2,4-triazol-1-yl)-1-azabicyclo[3.2.1]octane (CID 15663678) is 5-(3-methyl-1,2,4-triazol-1-yl)-1-azabicyclo[3.2.1]octane.
What is the SMILES notation for 5-(3-methyl-1,2,4-triazol-1-yl)-1-azabicyclo[3.2.1]octane?
The canonical SMILES for 5-(3-methyl-1,2,4-triazol-1-yl)-1-azabicyclo[3.2.1]octane is Cc1ncn(C23CCCN(CC2)C3)n1.
What is the InChIKey of 5-(3-methyl-1,2,4-triazol-1-yl)-1-azabicyclo[3.2.1]octane?
The InChIKey is CLWFPRVOBCWLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-9-11-8-14(12-9)10-3-2-5-13(7-10)6-4-10/h8H,2-7H2,1H3.
What are the key properties of 5-(3-methyl-1,2,4-triazol-1-yl)-1-azabicyclo[3.2.1]octane?
5-(3-methyl-1,2,4-triazol-1-yl)-1-azabicyclo[3.2.1]octane has a molecular weight of 192.27 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-1,2,4-triazol-1-yl)-1-azabicyclo[3.2.1]octane is sourced from PubChem (CID 15663678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).