2-[(5-amino-2-methyl-1,2,4-triazol-3-yl)amino]ethanol;ethane

C7H17N5O — CID 145072130

IUPAC2-[(5-amino-2-methyl-1,2,4-triazol-3-yl)amino]ethanol;ethane
SMILESCC.Cn1nc(N)nc1NCCO
InChIInChI=1S/C5H11N5O.C2H6/c1-10-5(7-2-3-11)8-4(6)9-10;1-2/h11H,2-3H2,1H3,(H3,6,7,8,9);1-2H3
InChIKeyHXUWGMIGLHDFSS-UHFFFAOYSA-N
MW187.25 g/mol
LogP-0.17
Rot. Bonds3

About 2-[(5-amino-2-methyl-1,2,4-triazol-3-yl)amino]ethanol;ethane

2-[(5-amino-2-methyl-1,2,4-triazol-3-yl)amino]ethanol;ethane (PubChem CID 145072130) has the molecular formula C7H17N5O and a molecular weight of 187.25 g/mol. Its IUPAC name is 2-[(5-amino-2-methyl-1,2,4-triazol-3-yl)amino]ethanol;ethane.

Molecular Properties

Compound Name2-[(5-amino-2-methyl-1,2,4-triazol-3-yl)amino]ethanol;ethane
PubChem CID145072130
Molecular FormulaC7H17N5O
Molecular Weight187.25 g/mol
Exact Mass187.14
IUPAC Name2-[(5-amino-2-methyl-1,2,4-triazol-3-yl)amino]ethanol;ethane
SMILESCC.Cn1nc(N)nc1NCCO
InChIInChI=1S/C5H11N5O.C2H6/c1-10-5(7-2-3-11)8-4(6)9-10;1-2/h11H,2-3H2,1H3,(H3,6,7,8,9);1-2H3
InChIKeyHXUWGMIGLHDFSS-UHFFFAOYSA-N
XLogP-0.17
TPSA88.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-methyl-1,2,4-triazol-3-yl)amino]ethanol;ethane?
The IUPAC name of 2-[(5-amino-2-methyl-1,2,4-triazol-3-yl)amino]ethanol;ethane (CID 145072130) is 2-[(5-amino-2-methyl-1,2,4-triazol-3-yl)amino]ethanol;ethane.
What is the SMILES notation for 2-[(5-amino-2-methyl-1,2,4-triazol-3-yl)amino]ethanol;ethane?
The canonical SMILES for 2-[(5-amino-2-methyl-1,2,4-triazol-3-yl)amino]ethanol;ethane is CC.Cn1nc(N)nc1NCCO.
What is the InChIKey of 2-[(5-amino-2-methyl-1,2,4-triazol-3-yl)amino]ethanol;ethane?
The InChIKey is HXUWGMIGLHDFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5O.C2H6/c1-10-5(7-2-3-11)8-4(6)9-10;1-2/h11H,2-3H2,1H3,(H3,6,7,8,9);1-2H3.
What are the key properties of 2-[(5-amino-2-methyl-1,2,4-triazol-3-yl)amino]ethanol;ethane?
2-[(5-amino-2-methyl-1,2,4-triazol-3-yl)amino]ethanol;ethane has a molecular weight of 187.25 g/mol, XLogP of -0.17, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-methyl-1,2,4-triazol-3-yl)amino]ethanol;ethane is sourced from PubChem (CID 145072130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).