1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),7-dien-10-amine

C9H13N3 — CID 82415069

IUPAC1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),7-dien-10-amine
SMILESNC1Cc2nc3c(n2C1)CCC3
InChIInChI=1S/C9H13N3/c10-6-4-9-11-7-2-1-3-8(7)12(9)5-6/h6H,1-5,10H2
InChIKeyKKQGZAGCPBNAIN-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.26
Rot. Bonds

About 1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),7-dien-10-amine

1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),7-dien-10-amine (PubChem CID 82415069) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),7-dien-10-amine.

Molecular Properties

Compound Name1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),7-dien-10-amine
PubChem CID82415069
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),7-dien-10-amine
SMILESNC1Cc2nc3c(n2C1)CCC3
InChIInChI=1S/C9H13N3/c10-6-4-9-11-7-2-1-3-8(7)12(9)5-6/h6H,1-5,10H2
InChIKeyKKQGZAGCPBNAIN-UHFFFAOYSA-N
XLogP0.26
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),7-dien-10-amine?
The IUPAC name of 1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),7-dien-10-amine (CID 82415069) is 1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),7-dien-10-amine.
What is the SMILES notation for 1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),7-dien-10-amine?
The canonical SMILES for 1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),7-dien-10-amine is NC1Cc2nc3c(n2C1)CCC3.
What is the InChIKey of 1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),7-dien-10-amine?
The InChIKey is KKQGZAGCPBNAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c10-6-4-9-11-7-2-1-3-8(7)12(9)5-6/h6H,1-5,10H2.
What are the key properties of 1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),7-dien-10-amine?
1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),7-dien-10-amine has a molecular weight of 163.22 g/mol, XLogP of 0.26, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),7-dien-10-amine is sourced from PubChem (CID 82415069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).