(1,3,5-triazin-2-ylamino)methanol

C4H6N4O — CID 54175469

IUPAC(1,3,5-triazin-2-ylamino)methanol
SMILESOCNc1ncncn1
InChIInChI=1S/C4H6N4O/c9-3-8-4-6-1-5-2-7-4/h1-2,9H,3H2,(H,5,6,7,8)
InChIKeyOYACSIBPSQCBNX-UHFFFAOYSA-N
MW126.12 g/mol
LogP-0.77
Rot. Bonds2

About (1,3,5-triazin-2-ylamino)methanol

(1,3,5-triazin-2-ylamino)methanol (PubChem CID 54175469) has the molecular formula C4H6N4O and a molecular weight of 126.12 g/mol. Its IUPAC name is (1,3,5-triazin-2-ylamino)methanol.

Molecular Properties

Compound Name(1,3,5-triazin-2-ylamino)methanol
PubChem CID54175469
Molecular FormulaC4H6N4O
Molecular Weight126.12 g/mol
Exact Mass126.05
IUPAC Name(1,3,5-triazin-2-ylamino)methanol
SMILESOCNc1ncncn1
InChIInChI=1S/C4H6N4O/c9-3-8-4-6-1-5-2-7-4/h1-2,9H,3H2,(H,5,6,7,8)
InChIKeyOYACSIBPSQCBNX-UHFFFAOYSA-N
XLogP-0.77
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.12
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Trimethylolmelamine
CID 70549
(Hydroxymethyl)melamine
CID 70300
((6-Amino-1,3,5-triazine-2,4-diyl)diimino)bismethanol
CID 78700
((4-Amino-6-((hydroxymethyl)amino)-1,3,5-triazin-2-yl)imino)bismethanol
CID 21287791
4-Methoxy-6-methylamino-1,3,5-triazin
CID 20133980
Methylolmelamine water
CID 17770231
[[4,6-Bis(hydroxymethylamino)-1,3,5-triazin-2-yl]amino]methanol;hydrochloride
CID 20360863
[Methoxymethyl-[4-(methoxymethylamino)-1,3,5-triazin-2-yl]amino]methanol
CID 22345019
N-(methoxymethyl)-1,3,5-triazin-2-amine
CID 22912604
2-N-(methoxymethyl)-1,3,5-triazine-2,4-diamine
CID 22912606
[(4-Chloro-1,3,5-triazin-2-yl)amino]methanol
CID 54161527
[(4,6-Diamino-1,3,5-triazin-2-yl)amino]methanol;methanol
CID 66783485

Frequently Asked Questions

What is the IUPAC name of (1,3,5-triazin-2-ylamino)methanol?
The IUPAC name of (1,3,5-triazin-2-ylamino)methanol (CID 54175469) is (1,3,5-triazin-2-ylamino)methanol.
What is the SMILES notation for (1,3,5-triazin-2-ylamino)methanol?
The canonical SMILES for (1,3,5-triazin-2-ylamino)methanol is OCNc1ncncn1.
What is the InChIKey of (1,3,5-triazin-2-ylamino)methanol?
The InChIKey is OYACSIBPSQCBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O/c9-3-8-4-6-1-5-2-7-4/h1-2,9H,3H2,(H,5,6,7,8).
What are the key properties of (1,3,5-triazin-2-ylamino)methanol?
(1,3,5-triazin-2-ylamino)methanol has a molecular weight of 126.12 g/mol, XLogP of -0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3,5-triazin-2-ylamino)methanol is sourced from PubChem (CID 54175469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).