1-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-piperidin-3-ylurea

C10H18N6O — CID 46990191

IUPAC1-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-piperidin-3-ylurea
SMILESCc1nc(NC(=O)NC2CCCNC2)nn1C
InChIInChI=1S/C10H18N6O/c1-7-12-9(15-16(7)2)14-10(17)13-8-4-3-5-11-6-8/h8,11H,3-6H2,1-2H3,(H2,13,14,15,17)
InChIKeyCFLZUWKRIZJGIO-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.00
Rot. Bonds2

About 1-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-piperidin-3-ylurea

1-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-piperidin-3-ylurea (PubChem CID 46990191) has the molecular formula C10H18N6O and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-piperidin-3-ylurea.

Molecular Properties

Compound Name1-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-piperidin-3-ylurea
PubChem CID46990191
Molecular FormulaC10H18N6O
Molecular Weight238.29 g/mol
Exact Mass238.15
IUPAC Name1-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-piperidin-3-ylurea
SMILESCc1nc(NC(=O)NC2CCCNC2)nn1C
InChIInChI=1S/C10H18N6O/c1-7-12-9(15-16(7)2)14-10(17)13-8-4-3-5-11-6-8/h8,11H,3-6H2,1-2H3,(H2,13,14,15,17)
InChIKeyCFLZUWKRIZJGIO-UHFFFAOYSA-N
XLogP-0.00
TPSA83.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-piperidin-3-ylurea?
The IUPAC name of 1-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-piperidin-3-ylurea (CID 46990191) is 1-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-piperidin-3-ylurea.
What is the SMILES notation for 1-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-piperidin-3-ylurea?
The canonical SMILES for 1-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-piperidin-3-ylurea is Cc1nc(NC(=O)NC2CCCNC2)nn1C.
What is the InChIKey of 1-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-piperidin-3-ylurea?
The InChIKey is CFLZUWKRIZJGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O/c1-7-12-9(15-16(7)2)14-10(17)13-8-4-3-5-11-6-8/h8,11H,3-6H2,1-2H3,(H2,13,14,15,17).
What are the key properties of 1-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-piperidin-3-ylurea?
1-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-piperidin-3-ylurea has a molecular weight of 238.29 g/mol, XLogP of -0.00, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-piperidin-3-ylurea is sourced from PubChem (CID 46990191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).