1-tert-butyl-3-pyridin-3-ylurea

C10H15N3O — CID 3547725

IUPAC1-tert-butyl-3-pyridin-3-ylurea
SMILESCC(C)(C)NC(=O)Nc1cccnc1
InChIInChI=1S/C10H15N3O/c1-10(2,3)13-9(14)12-8-5-4-6-11-7-8/h4-7H,1-3H3,(H2,12,13,14)
InChIKeySSCQNFBOSRPJRT-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.00
Rot. Bonds1

About 1-tert-butyl-3-pyridin-3-ylurea

1-tert-butyl-3-pyridin-3-ylurea (PubChem CID 3547725) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-tert-butyl-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-tert-butyl-3-pyridin-3-ylurea
PubChem CID3547725
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name1-tert-butyl-3-pyridin-3-ylurea
SMILESCC(C)(C)NC(=O)Nc1cccnc1
InChIInChI=1S/C10H15N3O/c1-10(2,3)13-9(14)12-8-5-4-6-11-7-8/h4-7H,1-3H3,(H2,12,13,14)
InChIKeySSCQNFBOSRPJRT-UHFFFAOYSA-N
XLogP2.00
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-pyridin-3-ylurea?
The IUPAC name of 1-tert-butyl-3-pyridin-3-ylurea (CID 3547725) is 1-tert-butyl-3-pyridin-3-ylurea.
What is the SMILES notation for 1-tert-butyl-3-pyridin-3-ylurea?
The canonical SMILES for 1-tert-butyl-3-pyridin-3-ylurea is CC(C)(C)NC(=O)Nc1cccnc1.
What is the InChIKey of 1-tert-butyl-3-pyridin-3-ylurea?
The InChIKey is SSCQNFBOSRPJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-10(2,3)13-9(14)12-8-5-4-6-11-7-8/h4-7H,1-3H3,(H2,12,13,14).
What are the key properties of 1-tert-butyl-3-pyridin-3-ylurea?
1-tert-butyl-3-pyridin-3-ylurea has a molecular weight of 193.25 g/mol, XLogP of 2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-pyridin-3-ylurea is sourced from PubChem (CID 3547725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).