(2S)-2-cyclopropyl-2-[[2-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]acetamide

C20H20N8O2 — CID 126700681

IUPAC(2S)-2-cyclopropyl-2-[[2-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]acetamide
SMILESNC(=O)[C@@H](Nc1cc2c3c(c1)nc(-c1ccn4ncnc4n1)n3CCCO2)C1CC1
InChIInChI=1S/C20H20N8O2/c21-18(29)16(11-2-3-11)24-12-8-14-17-15(9-12)30-7-1-5-27(17)19(25-14)13-4-6-28-20(26-13)22-10-23-28/h4,6,8-11,16,24H,1-3,5,7H2,(H2,21,29)/t16-/m0/s1
InChIKeySHJKTGSAFMOGTB-INIZCTEOSA-N
MW404.43 g/mol
LogP1.60
Rot. Bonds5

About (2S)-2-cyclopropyl-2-[[2-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]acetamide

(2S)-2-cyclopropyl-2-[[2-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]acetamide (PubChem CID 126700681) has the molecular formula C20H20N8O2 and a molecular weight of 404.43 g/mol. Its IUPAC name is (2S)-2-cyclopropyl-2-[[2-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]acetamide.

Molecular Properties

Compound Name(2S)-2-cyclopropyl-2-[[2-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]acetamide
PubChem CID126700681
Molecular FormulaC20H20N8O2
Molecular Weight404.43 g/mol
Exact Mass404.17
IUPAC Name(2S)-2-cyclopropyl-2-[[2-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]acetamide
SMILESNC(=O)[C@@H](Nc1cc2c3c(c1)nc(-c1ccn4ncnc4n1)n3CCCO2)C1CC1
InChIInChI=1S/C20H20N8O2/c21-18(29)16(11-2-3-11)24-12-8-14-17-15(9-12)30-7-1-5-27(17)19(25-14)13-4-6-28-20(26-13)22-10-23-28/h4,6,8-11,16,24H,1-3,5,7H2,(H2,21,29)/t16-/m0/s1
InChIKeySHJKTGSAFMOGTB-INIZCTEOSA-N
XLogP1.60
TPSA125.25 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (2S)-2-cyclopropyl-2-[[2-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopropyl-2-[[2-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]acetamide?
The IUPAC name of (2S)-2-cyclopropyl-2-[[2-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]acetamide (CID 126700681) is (2S)-2-cyclopropyl-2-[[2-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]acetamide.
What is the SMILES notation for (2S)-2-cyclopropyl-2-[[2-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]acetamide?
The canonical SMILES for (2S)-2-cyclopropyl-2-[[2-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]acetamide is NC(=O)[C@@H](Nc1cc2c3c(c1)nc(-c1ccn4ncnc4n1)n3CCCO2)C1CC1.
What is the InChIKey of (2S)-2-cyclopropyl-2-[[2-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]acetamide?
The InChIKey is SHJKTGSAFMOGTB-INIZCTEOSA-N. The full InChI is InChI=1S/C20H20N8O2/c21-18(29)16(11-2-3-11)24-12-8-14-17-15(9-12)30-7-1-5-27(17)19(25-14)13-4-6-28-20(26-13)22-10-23-28/h4,6,8-11,16,24H,1-3,5,7H2,(H2,21,29)/t16-/m0/s1.
What are the key properties of (2S)-2-cyclopropyl-2-[[2-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]acetamide?
(2S)-2-cyclopropyl-2-[[2-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]acetamide has a molecular weight of 404.43 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopropyl-2-[[2-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]acetamide is sourced from PubChem (CID 126700681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).