1-[2-(4-methylpiperidin-1-yl)ethyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea

C12H22N6O — CID 75435226

IUPAC1-[2-(4-methylpiperidin-1-yl)ethyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea
SMILESCC1CCN(CCNC(=O)Nc2ncnn2C)CC1
InChIInChI=1S/C12H22N6O/c1-10-3-6-18(7-4-10)8-5-13-12(19)16-11-14-9-15-17(11)2/h9-10H,3-8H2,1-2H3,(H2,13,14,15,16,19)
InChIKeyIHTYDGSIXNNCDK-UHFFFAOYSA-N
MW266.35 g/mol
LogP0.67
Rot. Bonds4

About 1-[2-(4-methylpiperidin-1-yl)ethyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea

1-[2-(4-methylpiperidin-1-yl)ethyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea (PubChem CID 75435226) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is 1-[2-(4-methylpiperidin-1-yl)ethyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea.

Molecular Properties

Compound Name1-[2-(4-methylpiperidin-1-yl)ethyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea
PubChem CID75435226
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC Name1-[2-(4-methylpiperidin-1-yl)ethyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea
SMILESCC1CCN(CCNC(=O)Nc2ncnn2C)CC1
InChIInChI=1S/C12H22N6O/c1-10-3-6-18(7-4-10)8-5-13-12(19)16-11-14-9-15-17(11)2/h9-10H,3-8H2,1-2H3,(H2,13,14,15,16,19)
InChIKeyIHTYDGSIXNNCDK-UHFFFAOYSA-N
XLogP0.67
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperidin-1-yl)ethyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea?
The IUPAC name of 1-[2-(4-methylpiperidin-1-yl)ethyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea (CID 75435226) is 1-[2-(4-methylpiperidin-1-yl)ethyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea.
What is the SMILES notation for 1-[2-(4-methylpiperidin-1-yl)ethyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea?
The canonical SMILES for 1-[2-(4-methylpiperidin-1-yl)ethyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea is CC1CCN(CCNC(=O)Nc2ncnn2C)CC1.
What is the InChIKey of 1-[2-(4-methylpiperidin-1-yl)ethyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea?
The InChIKey is IHTYDGSIXNNCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c1-10-3-6-18(7-4-10)8-5-13-12(19)16-11-14-9-15-17(11)2/h9-10H,3-8H2,1-2H3,(H2,13,14,15,16,19).
What are the key properties of 1-[2-(4-methylpiperidin-1-yl)ethyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea?
1-[2-(4-methylpiperidin-1-yl)ethyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea has a molecular weight of 266.35 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperidin-1-yl)ethyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea is sourced from PubChem (CID 75435226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).