[prop-2-enyl(1,3,5-triazin-2-yl)amino]methanol

C7H10N4O — CID 70140826

IUPAC[prop-2-enyl(1,3,5-triazin-2-yl)amino]methanol
SMILESC=CCN(CO)c1ncncn1
InChIInChI=1S/C7H10N4O/c1-2-3-11(6-12)7-9-4-8-5-10-7/h2,4-5,12H,1,3,6H2
InChIKeyFADJOIKTXXPSAQ-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.19
Rot. Bonds4

About [prop-2-enyl(1,3,5-triazin-2-yl)amino]methanol

[prop-2-enyl(1,3,5-triazin-2-yl)amino]methanol (PubChem CID 70140826) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is [prop-2-enyl(1,3,5-triazin-2-yl)amino]methanol.

Molecular Properties

Compound Name[prop-2-enyl(1,3,5-triazin-2-yl)amino]methanol
PubChem CID70140826
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name[prop-2-enyl(1,3,5-triazin-2-yl)amino]methanol
SMILESC=CCN(CO)c1ncncn1
InChIInChI=1S/C7H10N4O/c1-2-3-11(6-12)7-9-4-8-5-10-7/h2,4-5,12H,1,3,6H2
InChIKeyFADJOIKTXXPSAQ-UHFFFAOYSA-N
XLogP-0.19
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Allyl(1,3,5-triazin-2-yl)cyanamide
CID 88848466
[[4-[Bis(hydroxymethyl)amino]-6-[bis(prop-2-enyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]methanol
CID 20308938
N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine
CID 22987609
1-[1-Hydroxyprop-2-enyl(1,3,5-triazin-2-yl)amino]prop-2-en-1-ol
CID 70006336
3-(1,3,5-Triazin-2-ylamino)prop-1-en-1-ol
CID 70438727
N-prop-2-enyl-N-(1,3,5-triazin-2-yl)hydroxylamine
CID 87733626
2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 173438737
[(4,6-Diamino-1,3,5-triazin-2-yl)-prop-2-enylamino]methanol
CID 174443913

Frequently Asked Questions

What is the IUPAC name of [prop-2-enyl(1,3,5-triazin-2-yl)amino]methanol?
The IUPAC name of [prop-2-enyl(1,3,5-triazin-2-yl)amino]methanol (CID 70140826) is [prop-2-enyl(1,3,5-triazin-2-yl)amino]methanol.
What is the SMILES notation for [prop-2-enyl(1,3,5-triazin-2-yl)amino]methanol?
The canonical SMILES for [prop-2-enyl(1,3,5-triazin-2-yl)amino]methanol is C=CCN(CO)c1ncncn1.
What is the InChIKey of [prop-2-enyl(1,3,5-triazin-2-yl)amino]methanol?
The InChIKey is FADJOIKTXXPSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c1-2-3-11(6-12)7-9-4-8-5-10-7/h2,4-5,12H,1,3,6H2.
What are the key properties of [prop-2-enyl(1,3,5-triazin-2-yl)amino]methanol?
[prop-2-enyl(1,3,5-triazin-2-yl)amino]methanol has a molecular weight of 166.18 g/mol, XLogP of -0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [prop-2-enyl(1,3,5-triazin-2-yl)amino]methanol is sourced from PubChem (CID 70140826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).