1-[2,6-di(propan-2-yl)phenyl]-3-(2H-tetrazol-5-yl)urea

C14H20N6O — CID 10708495

IUPAC1-[2,6-di(propan-2-yl)phenyl]-3-(2H-tetrazol-5-yl)urea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)Nc1nn[nH]n1
InChIInChI=1S/C14H20N6O/c1-8(2)10-6-5-7-11(9(3)4)12(10)15-14(21)16-13-17-19-20-18-13/h5-9H,1-4H3,(H3,15,16,17,18,19,20,21)
InChIKeyWHSBFJDITCJAKW-UHFFFAOYSA-N
MW288.36 g/mol
LogP3.09
Rot. Bonds4

About 1-[2,6-di(propan-2-yl)phenyl]-3-(2H-tetrazol-5-yl)urea

1-[2,6-di(propan-2-yl)phenyl]-3-(2H-tetrazol-5-yl)urea (PubChem CID 10708495) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-3-(2H-tetrazol-5-yl)urea.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]-3-(2H-tetrazol-5-yl)urea
PubChem CID10708495
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]-3-(2H-tetrazol-5-yl)urea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)Nc1nn[nH]n1
InChIInChI=1S/C14H20N6O/c1-8(2)10-6-5-7-11(9(3)4)12(10)15-14(21)16-13-17-19-20-18-13/h5-9H,1-4H3,(H3,15,16,17,18,19,20,21)
InChIKeyWHSBFJDITCJAKW-UHFFFAOYSA-N
XLogP3.09
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-(2H-tetrazol-5-yl)urea?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-(2H-tetrazol-5-yl)urea (CID 10708495) is 1-[2,6-di(propan-2-yl)phenyl]-3-(2H-tetrazol-5-yl)urea.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-3-(2H-tetrazol-5-yl)urea?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-3-(2H-tetrazol-5-yl)urea is CC(C)c1cccc(C(C)C)c1NC(=O)Nc1nn[nH]n1.
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-3-(2H-tetrazol-5-yl)urea?
The InChIKey is WHSBFJDITCJAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-8(2)10-6-5-7-11(9(3)4)12(10)15-14(21)16-13-17-19-20-18-13/h5-9H,1-4H3,(H3,15,16,17,18,19,20,21).
What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-3-(2H-tetrazol-5-yl)urea?
1-[2,6-di(propan-2-yl)phenyl]-3-(2H-tetrazol-5-yl)urea has a molecular weight of 288.36 g/mol, XLogP of 3.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-di(propan-2-yl)phenyl]-3-(2H-tetrazol-5-yl)urea is sourced from PubChem (CID 10708495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).