(4,6-diamino-1,3,5-triazin-2-yl)cyanamide

C4H5N7 — CID 592015

IUPAC(4,6-diamino-1,3,5-triazin-2-yl)cyanamide
SMILESN#CNc1nc(N)nc(N)n1
InChIInChI=1S/C4H5N7/c5-1-8-4-10-2(6)9-3(7)11-4/h(H5,6,7,8,9,10,11)
InChIKeyUBMLNOQRNOLESZ-UHFFFAOYSA-N
MW151.13 g/mol
LogP-1.07
Rot. Bonds1

About (4,6-diamino-1,3,5-triazin-2-yl)cyanamide

(4,6-diamino-1,3,5-triazin-2-yl)cyanamide (PubChem CID 592015) has the molecular formula C4H5N7 and a molecular weight of 151.13 g/mol. Its IUPAC name is (4,6-diamino-1,3,5-triazin-2-yl)cyanamide.

Molecular Properties

Compound Name(4,6-diamino-1,3,5-triazin-2-yl)cyanamide
PubChem CID592015
Molecular FormulaC4H5N7
Molecular Weight151.13 g/mol
Exact Mass151.06
IUPAC Name(4,6-diamino-1,3,5-triazin-2-yl)cyanamide
SMILESN#CNc1nc(N)nc(N)n1
InChIInChI=1S/C4H5N7/c5-1-8-4-10-2(6)9-3(7)11-4/h(H5,6,7,8,9,10,11)
InChIKeyUBMLNOQRNOLESZ-UHFFFAOYSA-N
XLogP-1.07
TPSA126.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.13
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 (4,6-diamino-1,3,5-triazin-2-yl)cyanamide?
The IUPAC name of (4,6-diamino-1,3,5-triazin-2-yl)cyanamide (CID 592015) is (4,6-diamino-1,3,5-triazin-2-yl)cyanamide.
What is the SMILES notation for (4,6-diamino-1,3,5-triazin-2-yl)cyanamide?
The canonical SMILES for (4,6-diamino-1,3,5-triazin-2-yl)cyanamide is N#CNc1nc(N)nc(N)n1.
What is the InChIKey of (4,6-diamino-1,3,5-triazin-2-yl)cyanamide?
The InChIKey is UBMLNOQRNOLESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N7/c5-1-8-4-10-2(6)9-3(7)11-4/h(H5,6,7,8,9,10,11).
What are the key properties of (4,6-diamino-1,3,5-triazin-2-yl)cyanamide?
(4,6-diamino-1,3,5-triazin-2-yl)cyanamide has a molecular weight of 151.13 g/mol, XLogP of -1.07, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-diamino-1,3,5-triazin-2-yl)cyanamide is sourced from PubChem (CID 592015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).