10-[bis(cyclopropylmethyl)amino]-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one

C18H23N3O — CID 15745008

IUPAC10-[bis(cyclopropylmethyl)amino]-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
SMILESO=c1[nH]c2cccc3c2n1CC(N(CC1CC1)CC1CC1)C3
InChIInChI=1S/C18H23N3O/c22-18-19-16-3-1-2-14-8-15(11-21(18)17(14)16)20(9-12-4-5-12)10-13-6-7-13/h1-3,12-13,15H,4-11H2,(H,19,22)
InChIKeyCHKVHTHJMWJGNJ-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.38
Rot. Bonds5

About 10-[bis(cyclopropylmethyl)amino]-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one

10-[bis(cyclopropylmethyl)amino]-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one (PubChem CID 15745008) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 10-[bis(cyclopropylmethyl)amino]-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one.

Molecular Properties

Compound Name10-[bis(cyclopropylmethyl)amino]-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
PubChem CID15745008
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name10-[bis(cyclopropylmethyl)amino]-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
SMILESO=c1[nH]c2cccc3c2n1CC(N(CC1CC1)CC1CC1)C3
InChIInChI=1S/C18H23N3O/c22-18-19-16-3-1-2-14-8-15(11-21(18)17(14)16)20(9-12-4-5-12)10-13-6-7-13/h1-3,12-13,15H,4-11H2,(H,19,22)
InChIKeyCHKVHTHJMWJGNJ-UHFFFAOYSA-N
XLogP2.38
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-[bis(cyclopropylmethyl)amino]-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one?
The IUPAC name of 10-[bis(cyclopropylmethyl)amino]-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one (CID 15745008) is 10-[bis(cyclopropylmethyl)amino]-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one.
What is the SMILES notation for 10-[bis(cyclopropylmethyl)amino]-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one?
The canonical SMILES for 10-[bis(cyclopropylmethyl)amino]-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one is O=c1[nH]c2cccc3c2n1CC(N(CC1CC1)CC1CC1)C3.
What is the InChIKey of 10-[bis(cyclopropylmethyl)amino]-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one?
The InChIKey is CHKVHTHJMWJGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c22-18-19-16-3-1-2-14-8-15(11-21(18)17(14)16)20(9-12-4-5-12)10-13-6-7-13/h1-3,12-13,15H,4-11H2,(H,19,22).
What are the key properties of 10-[bis(cyclopropylmethyl)amino]-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one?
10-[bis(cyclopropylmethyl)amino]-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one has a molecular weight of 297.40 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[bis(cyclopropylmethyl)amino]-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one is sourced from PubChem (CID 15745008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).