(3-methyltriazol-4-yl)urea

C4H7N5O — CID 90101859

IUPAC(3-methyltriazol-4-yl)urea
SMILESCn1nncc1NC(N)=O
InChIInChI=1S/C4H7N5O/c1-9-3(2-6-8-9)7-4(5)10/h2H,1H3,(H3,5,7,10)
InChIKeyCZHKKHLKJAQZEP-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.69
Rot. Bonds1

About (3-methyltriazol-4-yl)urea

(3-methyltriazol-4-yl)urea (PubChem CID 90101859) has the molecular formula C4H7N5O and a molecular weight of 141.13 g/mol. Its IUPAC name is (3-methyltriazol-4-yl)urea.

Molecular Properties

Compound Name(3-methyltriazol-4-yl)urea
PubChem CID90101859
Molecular FormulaC4H7N5O
Molecular Weight141.13 g/mol
Exact Mass141.07
IUPAC Name(3-methyltriazol-4-yl)urea
SMILESCn1nncc1NC(N)=O
InChIInChI=1S/C4H7N5O/c1-9-3(2-6-8-9)7-4(5)10/h2H,1H3,(H3,5,7,10)
InChIKeyCZHKKHLKJAQZEP-UHFFFAOYSA-N
XLogP-0.69
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methyltriazol-4-yl)urea?
The IUPAC name of (3-methyltriazol-4-yl)urea (CID 90101859) is (3-methyltriazol-4-yl)urea.
What is the SMILES notation for (3-methyltriazol-4-yl)urea?
The canonical SMILES for (3-methyltriazol-4-yl)urea is Cn1nncc1NC(N)=O.
What is the InChIKey of (3-methyltriazol-4-yl)urea?
The InChIKey is CZHKKHLKJAQZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5O/c1-9-3(2-6-8-9)7-4(5)10/h2H,1H3,(H3,5,7,10).
What are the key properties of (3-methyltriazol-4-yl)urea?
(3-methyltriazol-4-yl)urea has a molecular weight of 141.13 g/mol, XLogP of -0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyltriazol-4-yl)urea is sourced from PubChem (CID 90101859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).