1,1,3-trimethyl-3-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]urea

C13H24N6O — CID 166605056

IUPAC1,1,3-trimethyl-3-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]urea
SMILESCN(C)C(=O)N(C)C1CCCN(Cc2ncnn2C)C1
InChIInChI=1S/C13H24N6O/c1-16(2)13(20)17(3)11-6-5-7-19(8-11)9-12-14-10-15-18(12)4/h10-11H,5-9H2,1-4H3
InChIKeyRAZXYUVCKCDPAR-UHFFFAOYSA-N
MW280.38 g/mol
LogP0.39
Rot. Bonds3

About 1,1,3-trimethyl-3-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]urea

1,1,3-trimethyl-3-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]urea (PubChem CID 166605056) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is 1,1,3-trimethyl-3-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]urea.

Molecular Properties

Compound Name1,1,3-trimethyl-3-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]urea
PubChem CID166605056
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC Name1,1,3-trimethyl-3-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]urea
SMILESCN(C)C(=O)N(C)C1CCCN(Cc2ncnn2C)C1
InChIInChI=1S/C13H24N6O/c1-16(2)13(20)17(3)11-6-5-7-19(8-11)9-12-14-10-15-18(12)4/h10-11H,5-9H2,1-4H3
InChIKeyRAZXYUVCKCDPAR-UHFFFAOYSA-N
XLogP0.39
TPSA57.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-Ethylpiperidin-1-yl)-2-oxoethyl]-1,2,4-triazole-3-carbonitrile
CID 45803389
3-(dimethylamino)-N-(1,5-dimethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 46997513
1-[2-(2-Methylpiperidin-1-yl)-2-oxoethyl]-1,2,4-triazole-3-carbonitrile
CID 47138867
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpiperidine-1-carboxamide
CID 47252889
1-[(4-Ethyl-1,2,4-triazol-3-yl)methyl]-3-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]urea
CID 51082968
1-[3-(4-Ethylpiperazin-1-yl)propyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 53503175
3-[2-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 53577472
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylpiperazine-1-carboxamide
CID 71892917
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2-methylpropyl)piperazine-1-carboxamide
CID 71892920
1-[3-(4-Methylpiperidin-1-yl)propyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 71893532
1-[3-(3,5-Dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 72142813
4-(diethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
CID 72153018

Frequently Asked Questions

What is the IUPAC name of 1,1,3-trimethyl-3-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]urea?
The IUPAC name of 1,1,3-trimethyl-3-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]urea (CID 166605056) is 1,1,3-trimethyl-3-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]urea.
What is the SMILES notation for 1,1,3-trimethyl-3-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]urea?
The canonical SMILES for 1,1,3-trimethyl-3-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]urea is CN(C)C(=O)N(C)C1CCCN(Cc2ncnn2C)C1.
What is the InChIKey of 1,1,3-trimethyl-3-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]urea?
The InChIKey is RAZXYUVCKCDPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O/c1-16(2)13(20)17(3)11-6-5-7-19(8-11)9-12-14-10-15-18(12)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 1,1,3-trimethyl-3-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]urea?
1,1,3-trimethyl-3-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]urea has a molecular weight of 280.38 g/mol, XLogP of 0.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trimethyl-3-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]urea is sourced from PubChem (CID 166605056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).