1-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-(2,2,5,5-tetramethyloxolan-3-yl)urea

C18H31N5O2 — CID 75517877

IUPAC1-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-(2,2,5,5-tetramethyloxolan-3-yl)urea
SMILESCC(C)c1nc2n(n1)CCCC2NC(=O)NC1CC(C)(C)OC1(C)C
InChIInChI=1S/C18H31N5O2/c1-11(2)14-21-15-12(8-7-9-23(15)22-14)19-16(24)20-13-10-17(3,4)25-18(13,5)6/h11-13H,7-10H2,1-6H3,(H2,19,20,24)
InChIKeyYXJFVJKAYQNFIS-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.88
Rot. Bonds3

About 1-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-(2,2,5,5-tetramethyloxolan-3-yl)urea

1-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-(2,2,5,5-tetramethyloxolan-3-yl)urea (PubChem CID 75517877) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 1-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-(2,2,5,5-tetramethyloxolan-3-yl)urea.

Molecular Properties

Compound Name1-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-(2,2,5,5-tetramethyloxolan-3-yl)urea
PubChem CID75517877
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC Name1-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-(2,2,5,5-tetramethyloxolan-3-yl)urea
SMILESCC(C)c1nc2n(n1)CCCC2NC(=O)NC1CC(C)(C)OC1(C)C
InChIInChI=1S/C18H31N5O2/c1-11(2)14-21-15-12(8-7-9-23(15)22-14)19-16(24)20-13-10-17(3,4)25-18(13,5)6/h11-13H,7-10H2,1-6H3,(H2,19,20,24)
InChIKeyYXJFVJKAYQNFIS-UHFFFAOYSA-N
XLogP2.88
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-(2,2,5,5-tetramethyloxolan-3-yl)urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-(2,2,5,5-tetramethyloxolan-3-yl)urea?
The IUPAC name of 1-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-(2,2,5,5-tetramethyloxolan-3-yl)urea (CID 75517877) is 1-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-(2,2,5,5-tetramethyloxolan-3-yl)urea.
What is the SMILES notation for 1-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-(2,2,5,5-tetramethyloxolan-3-yl)urea?
The canonical SMILES for 1-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-(2,2,5,5-tetramethyloxolan-3-yl)urea is CC(C)c1nc2n(n1)CCCC2NC(=O)NC1CC(C)(C)OC1(C)C.
What is the InChIKey of 1-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-(2,2,5,5-tetramethyloxolan-3-yl)urea?
The InChIKey is YXJFVJKAYQNFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-11(2)14-21-15-12(8-7-9-23(15)22-14)19-16(24)20-13-10-17(3,4)25-18(13,5)6/h11-13H,7-10H2,1-6H3,(H2,19,20,24).
What are the key properties of 1-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-(2,2,5,5-tetramethyloxolan-3-yl)urea?
1-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-(2,2,5,5-tetramethyloxolan-3-yl)urea has a molecular weight of 349.48 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-(2,2,5,5-tetramethyloxolan-3-yl)urea is sourced from PubChem (CID 75517877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).