(4-amino-1,3,5-triazin-2-yl)cyanamide

C4H4N6 — CID 13033500

IUPAC(4-amino-1,3,5-triazin-2-yl)cyanamide
SMILESN#CNc1ncnc(N)n1
InChIInChI=1S/C4H4N6/c5-1-7-4-9-2-8-3(6)10-4/h2H,(H3,6,7,8,9,10)
InChIKeyCVVVUSOSYUKIDQ-UHFFFAOYSA-N
MW136.12 g/mol
LogP-0.65
Rot. Bonds1

About (4-amino-1,3,5-triazin-2-yl)cyanamide

(4-amino-1,3,5-triazin-2-yl)cyanamide (PubChem CID 13033500) has the molecular formula C4H4N6 and a molecular weight of 136.12 g/mol. Its IUPAC name is (4-amino-1,3,5-triazin-2-yl)cyanamide.

Molecular Properties

Compound Name(4-amino-1,3,5-triazin-2-yl)cyanamide
PubChem CID13033500
Molecular FormulaC4H4N6
Molecular Weight136.12 g/mol
Exact Mass136.05
IUPAC Name(4-amino-1,3,5-triazin-2-yl)cyanamide
SMILESN#CNc1ncnc(N)n1
InChIInChI=1S/C4H4N6/c5-1-7-4-9-2-8-3(6)10-4/h2H,(H3,6,7,8,9,10)
InChIKeyCVVVUSOSYUKIDQ-UHFFFAOYSA-N
XLogP-0.65
TPSA100.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.12
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-amino-1,3,5-triazin-2-yl)cyanamide?
The IUPAC name of (4-amino-1,3,5-triazin-2-yl)cyanamide (CID 13033500) is (4-amino-1,3,5-triazin-2-yl)cyanamide.
What is the SMILES notation for (4-amino-1,3,5-triazin-2-yl)cyanamide?
The canonical SMILES for (4-amino-1,3,5-triazin-2-yl)cyanamide is N#CNc1ncnc(N)n1.
What is the InChIKey of (4-amino-1,3,5-triazin-2-yl)cyanamide?
The InChIKey is CVVVUSOSYUKIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N6/c5-1-7-4-9-2-8-3(6)10-4/h2H,(H3,6,7,8,9,10).
What are the key properties of (4-amino-1,3,5-triazin-2-yl)cyanamide?
(4-amino-1,3,5-triazin-2-yl)cyanamide has a molecular weight of 136.12 g/mol, XLogP of -0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1,3,5-triazin-2-yl)cyanamide is sourced from PubChem (CID 13033500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).