2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-prop-2-enylamino]ethanol

C11H15N5O — CID 115658382

IUPAC2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)c1cc(C)nc2ncnn12
InChIInChI=1S/C11H15N5O/c1-3-4-15(5-6-17)10-7-9(2)14-11-12-8-13-16(10)11/h3,7-8,17H,1,4-6H2,2H3
InChIKeyOOJHAIDSBDPTLS-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.42
Rot. Bonds5

About 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-prop-2-enylamino]ethanol

2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-prop-2-enylamino]ethanol (PubChem CID 115658382) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-prop-2-enylamino]ethanol.

Molecular Properties

Compound Name2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-prop-2-enylamino]ethanol
PubChem CID115658382
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)c1cc(C)nc2ncnn12
InChIInChI=1S/C11H15N5O/c1-3-4-15(5-6-17)10-7-9(2)14-11-12-8-13-16(10)11/h3,7-8,17H,1,4-6H2,2H3
InChIKeyOOJHAIDSBDPTLS-UHFFFAOYSA-N
XLogP0.42
TPSA66.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[cyclopropyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanol
CID 61147154
2-[cyclopentyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanol
CID 54998670
N-butyl-N-(2-chloroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 63388873
2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
CID 115765238
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 107490073
N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
CID 62592638
N-(2-chloroethyl)-5-methyl-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 63392205
2-[2-methylpropyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetic acid
CID 63065023
2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-(2-methoxyethyl)amino]ethanol
CID 102919142
N,5-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 18191323
N-(2-bromoethyl)-N-cyclopropyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 80667794
4-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-propylamino]methyl]benzonitrile
CID 133384013

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-prop-2-enylamino]ethanol?
The IUPAC name of 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-prop-2-enylamino]ethanol (CID 115658382) is 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-prop-2-enylamino]ethanol.
What is the SMILES notation for 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-prop-2-enylamino]ethanol?
The canonical SMILES for 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-prop-2-enylamino]ethanol is C=CCN(CCO)c1cc(C)nc2ncnn12.
What is the InChIKey of 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-prop-2-enylamino]ethanol?
The InChIKey is OOJHAIDSBDPTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-3-4-15(5-6-17)10-7-9(2)14-11-12-8-13-16(10)11/h3,7-8,17H,1,4-6H2,2H3.
What are the key properties of 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-prop-2-enylamino]ethanol?
2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-prop-2-enylamino]ethanol has a molecular weight of 233.27 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-prop-2-enylamino]ethanol is sourced from PubChem (CID 115658382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).