7-amino-4-(cyclopropylmethyl)-10-[2-(dimethylamino)ethyl]-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-5-one

C14H20N8O — CID 54581016

IUPAC7-amino-4-(cyclopropylmethyl)-10-[2-(dimethylamino)ethyl]-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-5-one
SMILESCN(C)CCn1ncc2c1nc(N)n1c(=O)n(CC3CC3)nc21
InChIInChI=1S/C14H20N8O/c1-19(2)5-6-20-11-10(7-16-20)12-18-21(8-9-3-4-9)14(23)22(12)13(15)17-11/h7,9H,3-6,8H2,1-2H3,(H2,15,17)
InChIKeyFRZJKAQFNVONSR-UHFFFAOYSA-N
MW316.37 g/mol
LogP-0.21
Rot. Bonds5

About 7-amino-4-(cyclopropylmethyl)-10-[2-(dimethylamino)ethyl]-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-5-one

7-amino-4-(cyclopropylmethyl)-10-[2-(dimethylamino)ethyl]-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-5-one (PubChem CID 54581016) has the molecular formula C14H20N8O and a molecular weight of 316.37 g/mol. Its IUPAC name is 7-amino-4-(cyclopropylmethyl)-10-[2-(dimethylamino)ethyl]-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-5-one.

Molecular Properties

Compound Name7-amino-4-(cyclopropylmethyl)-10-[2-(dimethylamino)ethyl]-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-5-one
PubChem CID54581016
Molecular FormulaC14H20N8O
Molecular Weight316.37 g/mol
Exact Mass316.18
IUPAC Name7-amino-4-(cyclopropylmethyl)-10-[2-(dimethylamino)ethyl]-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-5-one
SMILESCN(C)CCn1ncc2c1nc(N)n1c(=O)n(CC3CC3)nc21
InChIInChI=1S/C14H20N8O/c1-19(2)5-6-20-11-10(7-16-20)12-18-21(8-9-3-4-9)14(23)22(12)13(15)17-11/h7,9H,3-6,8H2,1-2H3,(H2,15,17)
InChIKeyFRZJKAQFNVONSR-UHFFFAOYSA-N
XLogP-0.21
TPSA99.27 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-amino-4-(cyclopropylmethyl)-10-[2-(dimethylamino)ethyl]-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-amino-4-(cyclopropylmethyl)-10-[2-(dimethylamino)ethyl]-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-5-one?
The IUPAC name of 7-amino-4-(cyclopropylmethyl)-10-[2-(dimethylamino)ethyl]-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-5-one (CID 54581016) is 7-amino-4-(cyclopropylmethyl)-10-[2-(dimethylamino)ethyl]-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-5-one.
What is the SMILES notation for 7-amino-4-(cyclopropylmethyl)-10-[2-(dimethylamino)ethyl]-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-5-one?
The canonical SMILES for 7-amino-4-(cyclopropylmethyl)-10-[2-(dimethylamino)ethyl]-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-5-one is CN(C)CCn1ncc2c1nc(N)n1c(=O)n(CC3CC3)nc21.
What is the InChIKey of 7-amino-4-(cyclopropylmethyl)-10-[2-(dimethylamino)ethyl]-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-5-one?
The InChIKey is FRZJKAQFNVONSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N8O/c1-19(2)5-6-20-11-10(7-16-20)12-18-21(8-9-3-4-9)14(23)22(12)13(15)17-11/h7,9H,3-6,8H2,1-2H3,(H2,15,17).
What are the key properties of 7-amino-4-(cyclopropylmethyl)-10-[2-(dimethylamino)ethyl]-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-5-one?
7-amino-4-(cyclopropylmethyl)-10-[2-(dimethylamino)ethyl]-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-5-one has a molecular weight of 316.37 g/mol, XLogP of -0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4-(cyclopropylmethyl)-10-[2-(dimethylamino)ethyl]-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-5-one is sourced from PubChem (CID 54581016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).