1-[[(2R)-oxolan-2-yl]methyl]-3-(2-propan-2-yl-1,2,4-triazol-3-yl)urea

C11H19N5O2 — CID 128795188

IUPAC1-[[(2R)-oxolan-2-yl]methyl]-3-(2-propan-2-yl-1,2,4-triazol-3-yl)urea
SMILESCC(C)n1ncnc1NC(=O)NC[C@H]1CCCO1
InChIInChI=1S/C11H19N5O2/c1-8(2)16-10(13-7-14-16)15-11(17)12-6-9-4-3-5-18-9/h7-9H,3-6H2,1-2H3,(H2,12,13,14,15,17)/t9-/m1/s1
InChIKeyVMOCMLDNALBTMX-SECBINFHSA-N
MW253.31 g/mol
LogP1.16
Rot. Bonds4

About 1-[[(2R)-oxolan-2-yl]methyl]-3-(2-propan-2-yl-1,2,4-triazol-3-yl)urea

1-[[(2R)-oxolan-2-yl]methyl]-3-(2-propan-2-yl-1,2,4-triazol-3-yl)urea (PubChem CID 128795188) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-[[(2R)-oxolan-2-yl]methyl]-3-(2-propan-2-yl-1,2,4-triazol-3-yl)urea.

Molecular Properties

Compound Name1-[[(2R)-oxolan-2-yl]methyl]-3-(2-propan-2-yl-1,2,4-triazol-3-yl)urea
PubChem CID128795188
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name1-[[(2R)-oxolan-2-yl]methyl]-3-(2-propan-2-yl-1,2,4-triazol-3-yl)urea
SMILESCC(C)n1ncnc1NC(=O)NC[C@H]1CCCO1
InChIInChI=1S/C11H19N5O2/c1-8(2)16-10(13-7-14-16)15-11(17)12-6-9-4-3-5-18-9/h7-9H,3-6H2,1-2H3,(H2,12,13,14,15,17)/t9-/m1/s1
InChIKeyVMOCMLDNALBTMX-SECBINFHSA-N
XLogP1.16
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-oxolan-2-yl]methyl]-3-(2-propan-2-yl-1,2,4-triazol-3-yl)urea?
The IUPAC name of 1-[[(2R)-oxolan-2-yl]methyl]-3-(2-propan-2-yl-1,2,4-triazol-3-yl)urea (CID 128795188) is 1-[[(2R)-oxolan-2-yl]methyl]-3-(2-propan-2-yl-1,2,4-triazol-3-yl)urea.
What is the SMILES notation for 1-[[(2R)-oxolan-2-yl]methyl]-3-(2-propan-2-yl-1,2,4-triazol-3-yl)urea?
The canonical SMILES for 1-[[(2R)-oxolan-2-yl]methyl]-3-(2-propan-2-yl-1,2,4-triazol-3-yl)urea is CC(C)n1ncnc1NC(=O)NC[C@H]1CCCO1.
What is the InChIKey of 1-[[(2R)-oxolan-2-yl]methyl]-3-(2-propan-2-yl-1,2,4-triazol-3-yl)urea?
The InChIKey is VMOCMLDNALBTMX-SECBINFHSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-8(2)16-10(13-7-14-16)15-11(17)12-6-9-4-3-5-18-9/h7-9H,3-6H2,1-2H3,(H2,12,13,14,15,17)/t9-/m1/s1.
What are the key properties of 1-[[(2R)-oxolan-2-yl]methyl]-3-(2-propan-2-yl-1,2,4-triazol-3-yl)urea?
1-[[(2R)-oxolan-2-yl]methyl]-3-(2-propan-2-yl-1,2,4-triazol-3-yl)urea has a molecular weight of 253.31 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-oxolan-2-yl]methyl]-3-(2-propan-2-yl-1,2,4-triazol-3-yl)urea is sourced from PubChem (CID 128795188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).