3-propan-2-yloxy-1H-1,2,4-triazol-5-amine

C5H10N4O — CID 100786220

IUPAC3-propan-2-yloxy-1H-1,2,4-triazol-5-amine
SMILESCC(C)Oc1n[nH]c(N)n1
InChIInChI=1S/C5H10N4O/c1-3(2)10-5-7-4(6)8-9-5/h3H,1-2H3,(H3,6,7,8,9)
InChIKeyFSUUWUMMZNTQHV-UHFFFAOYSA-N
MW142.16 g/mol
LogP0.17
Rot. Bonds2

About 3-propan-2-yloxy-1H-1,2,4-triazol-5-amine

3-propan-2-yloxy-1H-1,2,4-triazol-5-amine (PubChem CID 100786220) has the molecular formula C5H10N4O and a molecular weight of 142.16 g/mol. Its IUPAC name is 3-propan-2-yloxy-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name3-propan-2-yloxy-1H-1,2,4-triazol-5-amine
PubChem CID100786220
Molecular FormulaC5H10N4O
Molecular Weight142.16 g/mol
Exact Mass142.09
IUPAC Name3-propan-2-yloxy-1H-1,2,4-triazol-5-amine
SMILESCC(C)Oc1n[nH]c(N)n1
InChIInChI=1S/C5H10N4O/c1-3(2)10-5-7-4(6)8-9-5/h3H,1-2H3,(H3,6,7,8,9)
InChIKeyFSUUWUMMZNTQHV-UHFFFAOYSA-N
XLogP0.17
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethoxy-1H-1,2,4-triazol-3-amine
CID 13045208
3-Bromo-5-isopropoxy-1h-1,2,4-triazole
CID 129743120
Potassium 3-propoxy-1H-1,2,4-triazol-5-olate
CID 138394312
3-cyclohexyloxy-1H-1,2,4-triazol-5-amine
CID 12760729
3-propoxy-1H-1,2,4-triazol-5-amine
CID 20307918
3-butoxy-1H-1,2,4-triazol-5-amine
CID 20307921
3-ethoxy-N-methyl-1H-1,2,4-triazol-5-amine
CID 123906391
5-iodo-3-(2-methylpropoxy)-1H-1,2,4-triazole
CID 155409195
3-ethoxy-5-iodo-1H-1,2,4-triazole
CID 155409207
ethane;3-ethoxy-N-methyl-1H-1,2,4-triazol-5-amine
CID 169237869
5-Ethoxy-1,2,4-triazole-3,4-diamine
CID 80490215
propan-2-yl N-(3-methoxy-1H-1,2,4-triazol-5-yl)carbamate
CID 83102321

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxy-1H-1,2,4-triazol-5-amine?
The IUPAC name of 3-propan-2-yloxy-1H-1,2,4-triazol-5-amine (CID 100786220) is 3-propan-2-yloxy-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 3-propan-2-yloxy-1H-1,2,4-triazol-5-amine?
The canonical SMILES for 3-propan-2-yloxy-1H-1,2,4-triazol-5-amine is CC(C)Oc1n[nH]c(N)n1.
What is the InChIKey of 3-propan-2-yloxy-1H-1,2,4-triazol-5-amine?
The InChIKey is FSUUWUMMZNTQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O/c1-3(2)10-5-7-4(6)8-9-5/h3H,1-2H3,(H3,6,7,8,9).
What are the key properties of 3-propan-2-yloxy-1H-1,2,4-triazol-5-amine?
3-propan-2-yloxy-1H-1,2,4-triazol-5-amine has a molecular weight of 142.16 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 100786220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).