(8-methylpyrazolo[1,5-a][1,3,5]triazin-4-yl)urea

C7H8N6O — CID 89345531

IUPAC(8-methylpyrazolo[1,5-a][1,3,5]triazin-4-yl)urea
SMILESCc1cnn2c(NC(N)=O)ncnc12
InChIInChI=1S/C7H8N6O/c1-4-2-11-13-5(4)9-3-10-7(13)12-6(8)14/h2-3H,1H3,(H3,8,9,10,12,14)
InChIKeyAGKBGZCECONHOK-UHFFFAOYSA-N
MW192.18 g/mol
LogP-0.08
Rot. Bonds1

About (8-methylpyrazolo[1,5-a][1,3,5]triazin-4-yl)urea

(8-methylpyrazolo[1,5-a][1,3,5]triazin-4-yl)urea (PubChem CID 89345531) has the molecular formula C7H8N6O and a molecular weight of 192.18 g/mol. Its IUPAC name is (8-methylpyrazolo[1,5-a][1,3,5]triazin-4-yl)urea.

Molecular Properties

Compound Name(8-methylpyrazolo[1,5-a][1,3,5]triazin-4-yl)urea
PubChem CID89345531
Molecular FormulaC7H8N6O
Molecular Weight192.18 g/mol
Exact Mass192.08
IUPAC Name(8-methylpyrazolo[1,5-a][1,3,5]triazin-4-yl)urea
SMILESCc1cnn2c(NC(N)=O)ncnc12
InChIInChI=1S/C7H8N6O/c1-4-2-11-13-5(4)9-3-10-7(13)12-6(8)14/h2-3H,1H3,(H3,8,9,10,12,14)
InChIKeyAGKBGZCECONHOK-UHFFFAOYSA-N
XLogP-0.08
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (8-methylpyrazolo[1,5-a][1,3,5]triazin-4-yl)urea?
The IUPAC name of (8-methylpyrazolo[1,5-a][1,3,5]triazin-4-yl)urea (CID 89345531) is (8-methylpyrazolo[1,5-a][1,3,5]triazin-4-yl)urea.
What is the SMILES notation for (8-methylpyrazolo[1,5-a][1,3,5]triazin-4-yl)urea?
The canonical SMILES for (8-methylpyrazolo[1,5-a][1,3,5]triazin-4-yl)urea is Cc1cnn2c(NC(N)=O)ncnc12.
What is the InChIKey of (8-methylpyrazolo[1,5-a][1,3,5]triazin-4-yl)urea?
The InChIKey is AGKBGZCECONHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6O/c1-4-2-11-13-5(4)9-3-10-7(13)12-6(8)14/h2-3H,1H3,(H3,8,9,10,12,14).
What are the key properties of (8-methylpyrazolo[1,5-a][1,3,5]triazin-4-yl)urea?
(8-methylpyrazolo[1,5-a][1,3,5]triazin-4-yl)urea has a molecular weight of 192.18 g/mol, XLogP of -0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methylpyrazolo[1,5-a][1,3,5]triazin-4-yl)urea is sourced from PubChem (CID 89345531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).