10-imino-3,7-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,11-pentaene-8,12-diamine

C10H9N5 — CID 172543935

IUPAC10-imino-3,7-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,11-pentaene-8,12-diamine
SMILES[H]/N=C1\C=C(N)c2c1c(N)nc1cc[nH]c21
InChIInChI=1S/C10H9N5/c11-4-3-5(12)8-7(4)9-6(1-2-14-9)15-10(8)13/h1-3,12,14H,11H2,(H2,13,15)/b12-5+
InChIKeyDVUJYHHAMCHIAS-LFYBBSHMSA-N
MW199.22 g/mol
LogP0.83
Rot. Bonds

About 10-imino-3,7-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,11-pentaene-8,12-diamine

10-imino-3,7-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,11-pentaene-8,12-diamine (PubChem CID 172543935) has the molecular formula C10H9N5 and a molecular weight of 199.22 g/mol. Its IUPAC name is 10-imino-3,7-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,11-pentaene-8,12-diamine.

Molecular Properties

Compound Name10-imino-3,7-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,11-pentaene-8,12-diamine
PubChem CID172543935
Molecular FormulaC10H9N5
Molecular Weight199.22 g/mol
Exact Mass199.09
IUPAC Name10-imino-3,7-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,11-pentaene-8,12-diamine
SMILES[H]/N=C1\C=C(N)c2c1c(N)nc1cc[nH]c21
InChIInChI=1S/C10H9N5/c11-4-3-5(12)8-7(4)9-6(1-2-14-9)15-10(8)13/h1-3,12,14H,11H2,(H2,13,15)/b12-5+
InChIKeyDVUJYHHAMCHIAS-LFYBBSHMSA-N
XLogP0.83
TPSA104.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 50.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-imino-3,7-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,11-pentaene-8,12-diamine?
The IUPAC name of 10-imino-3,7-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,11-pentaene-8,12-diamine (CID 172543935) is 10-imino-3,7-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,11-pentaene-8,12-diamine.
What is the SMILES notation for 10-imino-3,7-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,11-pentaene-8,12-diamine?
The canonical SMILES for 10-imino-3,7-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,11-pentaene-8,12-diamine is [H]/N=C1\C=C(N)c2c1c(N)nc1cc[nH]c21.
What is the InChIKey of 10-imino-3,7-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,11-pentaene-8,12-diamine?
The InChIKey is DVUJYHHAMCHIAS-LFYBBSHMSA-N. The full InChI is InChI=1S/C10H9N5/c11-4-3-5(12)8-7(4)9-6(1-2-14-9)15-10(8)13/h1-3,12,14H,11H2,(H2,13,15)/b12-5+.
What are the key properties of 10-imino-3,7-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,11-pentaene-8,12-diamine?
10-imino-3,7-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,11-pentaene-8,12-diamine has a molecular weight of 199.22 g/mol, XLogP of 0.83, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-imino-3,7-diazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,11-pentaene-8,12-diamine is sourced from PubChem (CID 172543935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).