(8R)-8-methyl-3,4-diazatricyclo[5.1.1.02,6]nona-2(6),4-diene-5-carboxamide

C9H11N3O — CID 163982547

IUPAC(8R)-8-methyl-3,4-diazatricyclo[5.1.1.02,6]nona-2(6),4-diene-5-carboxamide
SMILESC[C@H]1C2CC1c1c(C(N)=O)n[nH]c12
InChIInChI=1S/C9H11N3O/c1-3-4-2-5(3)7-6(4)8(9(10)13)12-11-7/h3-5H,2H2,1H3,(H2,10,13)(H,11,12)/t3-,4?,5?/m1/s1
InChIKeySZRDEBAWMVVDOU-JYMNUSQCSA-N
MW177.21 g/mol
LogP0.73
Rot. Bonds1

About (8R)-8-methyl-3,4-diazatricyclo[5.1.1.02,6]nona-2(6),4-diene-5-carboxamide

(8R)-8-methyl-3,4-diazatricyclo[5.1.1.02,6]nona-2(6),4-diene-5-carboxamide (PubChem CID 163982547) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is (8R)-8-methyl-3,4-diazatricyclo[5.1.1.02,6]nona-2(6),4-diene-5-carboxamide.

Molecular Properties

Compound Name(8R)-8-methyl-3,4-diazatricyclo[5.1.1.02,6]nona-2(6),4-diene-5-carboxamide
PubChem CID163982547
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name(8R)-8-methyl-3,4-diazatricyclo[5.1.1.02,6]nona-2(6),4-diene-5-carboxamide
SMILESC[C@H]1C2CC1c1c(C(N)=O)n[nH]c12
InChIInChI=1S/C9H11N3O/c1-3-4-2-5(3)7-6(4)8(9(10)13)12-11-7/h3-5H,2H2,1H3,(H2,10,13)(H,11,12)/t3-,4?,5?/m1/s1
InChIKeySZRDEBAWMVVDOU-JYMNUSQCSA-N
XLogP0.73
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8R)-8-methyl-3,4-diazatricyclo[5.1.1.02,6]nona-2(6),4-diene-5-carboxamide?
The IUPAC name of (8R)-8-methyl-3,4-diazatricyclo[5.1.1.02,6]nona-2(6),4-diene-5-carboxamide (CID 163982547) is (8R)-8-methyl-3,4-diazatricyclo[5.1.1.02,6]nona-2(6),4-diene-5-carboxamide.
What is the SMILES notation for (8R)-8-methyl-3,4-diazatricyclo[5.1.1.02,6]nona-2(6),4-diene-5-carboxamide?
The canonical SMILES for (8R)-8-methyl-3,4-diazatricyclo[5.1.1.02,6]nona-2(6),4-diene-5-carboxamide is C[C@H]1C2CC1c1c(C(N)=O)n[nH]c12.
What is the InChIKey of (8R)-8-methyl-3,4-diazatricyclo[5.1.1.02,6]nona-2(6),4-diene-5-carboxamide?
The InChIKey is SZRDEBAWMVVDOU-JYMNUSQCSA-N. The full InChI is InChI=1S/C9H11N3O/c1-3-4-2-5(3)7-6(4)8(9(10)13)12-11-7/h3-5H,2H2,1H3,(H2,10,13)(H,11,12)/t3-,4?,5?/m1/s1.
What are the key properties of (8R)-8-methyl-3,4-diazatricyclo[5.1.1.02,6]nona-2(6),4-diene-5-carboxamide?
(8R)-8-methyl-3,4-diazatricyclo[5.1.1.02,6]nona-2(6),4-diene-5-carboxamide has a molecular weight of 177.21 g/mol, XLogP of 0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-methyl-3,4-diazatricyclo[5.1.1.02,6]nona-2(6),4-diene-5-carboxamide is sourced from PubChem (CID 163982547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).