2-ethyl-2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]butan-1-ol

C13H21N5O — CID 103844405

IUPAC2-ethyl-2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNc1cc(C)nc2ncnn12
InChIInChI=1S/C13H21N5O/c1-4-13(5-2,8-19)7-14-11-6-10(3)17-12-15-9-16-18(11)12/h6,9,14,19H,4-5,7-8H2,1-3H3
InChIKeyHXYDJDGWNDMCCT-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.64
Rot. Bonds6

About 2-ethyl-2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]butan-1-ol

2-ethyl-2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]butan-1-ol (PubChem CID 103844405) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-ethyl-2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]butan-1-ol
PubChem CID103844405
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name2-ethyl-2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNc1cc(C)nc2ncnn12
InChIInChI=1S/C13H21N5O/c1-4-13(5-2,8-19)7-14-11-6-10(3)17-12-15-9-16-18(11)12/h6,9,14,19H,4-5,7-8H2,1-3H3
InChIKeyHXYDJDGWNDMCCT-UHFFFAOYSA-N
XLogP1.64
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-ethyl-2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]butan-1-ol with MolForge

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Related Compounds

1-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentan-3-ol
CID 115702113
ethyl 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetate
CID 60810672
2-ethyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoic acid
CID 79806406
3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylpropane-1,2-diol
CID 102918962
2-methyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoic acid
CID 79798440
5-methyl-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 63226890
2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenol
CID 115598697
5-methyl-N-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 79040439
5-methyl-N-(5-methylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 79003007
5-chloro-N-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918505
N-(5-chloropentyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 107320766
N-[2-(2-chloroethyl)pentyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 106117285

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]butan-1-ol (CID 103844405) is 2-ethyl-2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]butan-1-ol is CCC(CC)(CO)CNc1cc(C)nc2ncnn12.
What is the InChIKey of 2-ethyl-2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]butan-1-ol?
The InChIKey is HXYDJDGWNDMCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-4-13(5-2,8-19)7-14-11-6-10(3)17-12-15-9-16-18(11)12/h6,9,14,19H,4-5,7-8H2,1-3H3.
What are the key properties of 2-ethyl-2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]butan-1-ol?
2-ethyl-2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]butan-1-ol has a molecular weight of 263.34 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]butan-1-ol is sourced from PubChem (CID 103844405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).