7-(methoxymethyl)-11-propan-2-yloxy-9-oxa-3,4,6,12-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-5-amine

C14H19N5O3 — CID 142579913

IUPAC7-(methoxymethyl)-11-propan-2-yloxy-9-oxa-3,4,6,12-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-5-amine
SMILESCOCC1COc2c(ccnc2OC(C)C)-c2nnc(N)n21
InChIInChI=1S/C14H19N5O3/c1-8(2)22-13-11-10(4-5-16-13)12-17-18-14(15)19(12)9(6-20-3)7-21-11/h4-5,8-9H,6-7H2,1-3H3,(H2,15,18)
InChIKeyVJZIHOLAZICDBQ-UHFFFAOYSA-N
MW305.34 g/mol
LogP1.29
Rot. Bonds4

About 7-(methoxymethyl)-11-propan-2-yloxy-9-oxa-3,4,6,12-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-5-amine

7-(methoxymethyl)-11-propan-2-yloxy-9-oxa-3,4,6,12-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-5-amine (PubChem CID 142579913) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is 7-(methoxymethyl)-11-propan-2-yloxy-9-oxa-3,4,6,12-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-5-amine.

Molecular Properties

Compound Name7-(methoxymethyl)-11-propan-2-yloxy-9-oxa-3,4,6,12-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-5-amine
PubChem CID142579913
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name7-(methoxymethyl)-11-propan-2-yloxy-9-oxa-3,4,6,12-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-5-amine
SMILESCOCC1COc2c(ccnc2OC(C)C)-c2nnc(N)n21
InChIInChI=1S/C14H19N5O3/c1-8(2)22-13-11-10(4-5-16-13)12-17-18-14(15)19(12)9(6-20-3)7-21-11/h4-5,8-9H,6-7H2,1-3H3,(H2,15,18)
InChIKeyVJZIHOLAZICDBQ-UHFFFAOYSA-N
XLogP1.29
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-(methoxymethyl)-11-propan-2-yloxy-9-oxa-3,4,6,12-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(methoxymethyl)-11-propan-2-yloxy-9-oxa-3,4,6,12-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-5-amine?
The IUPAC name of 7-(methoxymethyl)-11-propan-2-yloxy-9-oxa-3,4,6,12-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-5-amine (CID 142579913) is 7-(methoxymethyl)-11-propan-2-yloxy-9-oxa-3,4,6,12-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-5-amine.
What is the SMILES notation for 7-(methoxymethyl)-11-propan-2-yloxy-9-oxa-3,4,6,12-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-5-amine?
The canonical SMILES for 7-(methoxymethyl)-11-propan-2-yloxy-9-oxa-3,4,6,12-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-5-amine is COCC1COc2c(ccnc2OC(C)C)-c2nnc(N)n21.
What is the InChIKey of 7-(methoxymethyl)-11-propan-2-yloxy-9-oxa-3,4,6,12-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-5-amine?
The InChIKey is VJZIHOLAZICDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-8(2)22-13-11-10(4-5-16-13)12-17-18-14(15)19(12)9(6-20-3)7-21-11/h4-5,8-9H,6-7H2,1-3H3,(H2,15,18).
What are the key properties of 7-(methoxymethyl)-11-propan-2-yloxy-9-oxa-3,4,6,12-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-5-amine?
7-(methoxymethyl)-11-propan-2-yloxy-9-oxa-3,4,6,12-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-5-amine has a molecular weight of 305.34 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methoxymethyl)-11-propan-2-yloxy-9-oxa-3,4,6,12-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-5-amine is sourced from PubChem (CID 142579913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).