N-(4,6-diamino-1,3,5-triazin-2-yl)hydroxylamine;urea

C4H10N8O2 — CID 159363516

IUPACN-(4,6-diamino-1,3,5-triazin-2-yl)hydroxylamine;urea
SMILESNC(N)=O.Nc1nc(N)nc(NO)n1
InChIInChI=1S/C3H6N6O.CH4N2O/c4-1-6-2(5)8-3(7-1)9-10;2-1(3)4/h10H,(H5,4,5,6,7,8,9);(H4,2,3,4)
InChIKeyLIVFHZPMGCYMSB-UHFFFAOYSA-N
MW202.18 g/mol
LogP-2.14
Rot. Bonds1

About N-(4,6-diamino-1,3,5-triazin-2-yl)hydroxylamine;urea

N-(4,6-diamino-1,3,5-triazin-2-yl)hydroxylamine;urea (PubChem CID 159363516) has the molecular formula C4H10N8O2 and a molecular weight of 202.18 g/mol. Its IUPAC name is N-(4,6-diamino-1,3,5-triazin-2-yl)hydroxylamine;urea.

Molecular Properties

Compound NameN-(4,6-diamino-1,3,5-triazin-2-yl)hydroxylamine;urea
PubChem CID159363516
Molecular FormulaC4H10N8O2
Molecular Weight202.18 g/mol
Exact Mass202.09
IUPAC NameN-(4,6-diamino-1,3,5-triazin-2-yl)hydroxylamine;urea
SMILESNC(N)=O.Nc1nc(N)nc(NO)n1
InChIInChI=1S/C3H6N6O.CH4N2O/c4-1-6-2(5)8-3(7-1)9-10;2-1(3)4/h10H,(H5,4,5,6,7,8,9);(H4,2,3,4)
InChIKeyLIVFHZPMGCYMSB-UHFFFAOYSA-N
XLogP-2.14
TPSA192.08 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500202.18
LogP ≤ 5-2.14
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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 N-(4,6-diamino-1,3,5-triazin-2-yl)hydroxylamine;urea?
The IUPAC name of N-(4,6-diamino-1,3,5-triazin-2-yl)hydroxylamine;urea (CID 159363516) is N-(4,6-diamino-1,3,5-triazin-2-yl)hydroxylamine;urea.
What is the SMILES notation for N-(4,6-diamino-1,3,5-triazin-2-yl)hydroxylamine;urea?
The canonical SMILES for N-(4,6-diamino-1,3,5-triazin-2-yl)hydroxylamine;urea is NC(N)=O.Nc1nc(N)nc(NO)n1.
What is the InChIKey of N-(4,6-diamino-1,3,5-triazin-2-yl)hydroxylamine;urea?
The InChIKey is LIVFHZPMGCYMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6O.CH4N2O/c4-1-6-2(5)8-3(7-1)9-10;2-1(3)4/h10H,(H5,4,5,6,7,8,9);(H4,2,3,4).
What are the key properties of N-(4,6-diamino-1,3,5-triazin-2-yl)hydroxylamine;urea?
N-(4,6-diamino-1,3,5-triazin-2-yl)hydroxylamine;urea has a molecular weight of 202.18 g/mol, XLogP of -2.14, 1 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-diamino-1,3,5-triazin-2-yl)hydroxylamine;urea is sourced from PubChem (CID 159363516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).