(triazin-4-ylamino)urea

C4H6N6O — CID 66709637

IUPAC(triazin-4-ylamino)urea
SMILESNC(=O)NNc1ccnnn1
InChIInChI=1S/C4H6N6O/c5-4(11)9-7-3-1-2-6-10-8-3/h1-2H,(H3,5,9,11)(H,6,7,8)
InChIKeyGBADSUCUHVTZCA-UHFFFAOYSA-N
MW154.13 g/mol
LogP-1.13
Rot. Bonds2

About (triazin-4-ylamino)urea

(triazin-4-ylamino)urea (PubChem CID 66709637) has the molecular formula C4H6N6O and a molecular weight of 154.13 g/mol. Its IUPAC name is (triazin-4-ylamino)urea.

Molecular Properties

Compound Name(triazin-4-ylamino)urea
PubChem CID66709637
Molecular FormulaC4H6N6O
Molecular Weight154.13 g/mol
Exact Mass154.06
IUPAC Name(triazin-4-ylamino)urea
SMILESNC(=O)NNc1ccnnn1
InChIInChI=1S/C4H6N6O/c5-4(11)9-7-3-1-2-6-10-8-3/h1-2H,(H3,5,9,11)(H,6,7,8)
InChIKeyGBADSUCUHVTZCA-UHFFFAOYSA-N
XLogP-1.13
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (triazin-4-ylamino)urea?
The IUPAC name of (triazin-4-ylamino)urea (CID 66709637) is (triazin-4-ylamino)urea.
What is the SMILES notation for (triazin-4-ylamino)urea?
The canonical SMILES for (triazin-4-ylamino)urea is NC(=O)NNc1ccnnn1.
What is the InChIKey of (triazin-4-ylamino)urea?
The InChIKey is GBADSUCUHVTZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N6O/c5-4(11)9-7-3-1-2-6-10-8-3/h1-2H,(H3,5,9,11)(H,6,7,8).
What are the key properties of (triazin-4-ylamino)urea?
(triazin-4-ylamino)urea has a molecular weight of 154.13 g/mol, XLogP of -1.13, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (triazin-4-ylamino)urea is sourced from PubChem (CID 66709637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).