5-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodec-1(9)-en-10-amine

C10H18N4 — CID 170275343

IUPAC5-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodec-1(9)-en-10-amine
SMILESCC1C2CCC3=C(CCC12)N(N)NN3
InChIInChI=1S/C10H18N4/c1-6-7-2-4-9-10(5-3-8(6)7)14(11)13-12-9/h6-8,12-13H,2-5,11H2,1H3
InChIKeySJYHSBAPBVRHKG-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.85
Rot. Bonds

About 5-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodec-1(9)-en-10-amine

5-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodec-1(9)-en-10-amine (PubChem CID 170275343) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 5-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodec-1(9)-en-10-amine.

Molecular Properties

Compound Name5-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodec-1(9)-en-10-amine
PubChem CID170275343
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name5-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodec-1(9)-en-10-amine
SMILESCC1C2CCC3=C(CCC12)N(N)NN3
InChIInChI=1S/C10H18N4/c1-6-7-2-4-9-10(5-3-8(6)7)14(11)13-12-9/h6-8,12-13H,2-5,11H2,1H3
InChIKeySJYHSBAPBVRHKG-UHFFFAOYSA-N
XLogP0.85
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodec-1(9)-en-10-amine?
The IUPAC name of 5-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodec-1(9)-en-10-amine (CID 170275343) is 5-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodec-1(9)-en-10-amine.
What is the SMILES notation for 5-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodec-1(9)-en-10-amine?
The canonical SMILES for 5-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodec-1(9)-en-10-amine is CC1C2CCC3=C(CCC12)N(N)NN3.
What is the InChIKey of 5-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodec-1(9)-en-10-amine?
The InChIKey is SJYHSBAPBVRHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-6-7-2-4-9-10(5-3-8(6)7)14(11)13-12-9/h6-8,12-13H,2-5,11H2,1H3.
What are the key properties of 5-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodec-1(9)-en-10-amine?
5-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodec-1(9)-en-10-amine has a molecular weight of 194.28 g/mol, XLogP of 0.85, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodec-1(9)-en-10-amine is sourced from PubChem (CID 170275343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).