(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2H-triazol-4-yl)methanone

C10H15N5O — CID 63283420

IUPAC(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2H-triazol-4-yl)methanone
SMILESNC1CC2CCC(C1)N2C(=O)c1cn[nH]n1
InChIInChI=1S/C10H15N5O/c11-6-3-7-1-2-8(4-6)15(7)10(16)9-5-12-14-13-9/h5-8H,1-4,11H2,(H,12,13,14)
InChIKeyNRYLKOREVMXULZ-UHFFFAOYSA-N
MW221.26 g/mol
LogP-0.10
Rot. Bonds1

About (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2H-triazol-4-yl)methanone

(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2H-triazol-4-yl)methanone (PubChem CID 63283420) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2H-triazol-4-yl)methanone.

Molecular Properties

Compound Name(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2H-triazol-4-yl)methanone
PubChem CID63283420
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2H-triazol-4-yl)methanone
SMILESNC1CC2CCC(C1)N2C(=O)c1cn[nH]n1
InChIInChI=1S/C10H15N5O/c11-6-3-7-1-2-8(4-6)15(7)10(16)9-5-12-14-13-9/h5-8H,1-4,11H2,(H,12,13,14)
InChIKeyNRYLKOREVMXULZ-UHFFFAOYSA-N
XLogP-0.10
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2H-triazol-4-yl)methanone?
The IUPAC name of (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2H-triazol-4-yl)methanone (CID 63283420) is (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2H-triazol-4-yl)methanone.
What is the SMILES notation for (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2H-triazol-4-yl)methanone?
The canonical SMILES for (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2H-triazol-4-yl)methanone is NC1CC2CCC(C1)N2C(=O)c1cn[nH]n1.
What is the InChIKey of (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2H-triazol-4-yl)methanone?
The InChIKey is NRYLKOREVMXULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c11-6-3-7-1-2-8(4-6)15(7)10(16)9-5-12-14-13-9/h5-8H,1-4,11H2,(H,12,13,14).
What are the key properties of (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2H-triazol-4-yl)methanone?
(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2H-triazol-4-yl)methanone has a molecular weight of 221.26 g/mol, XLogP of -0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2H-triazol-4-yl)methanone is sourced from PubChem (CID 63283420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).