ethane;3-ethoxy-N-methyl-1H-1,2,4-triazol-5-amine

C7H16N4O — CID 169237869

IUPACethane;3-ethoxy-N-methyl-1H-1,2,4-triazol-5-amine
SMILESCC.CCOc1n[nH]c(NC)n1
InChIInChI=1S/C5H10N4O.C2H6/c1-3-10-5-7-4(6-2)8-9-5;1-2/h3H2,1-2H3,(H2,6,7,8,9);1-2H3
InChIKeySMOUGZAJVPTQCQ-UHFFFAOYSA-N
MW172.23 g/mol
LogP1.27
Rot. Bonds3

About ethane;3-ethoxy-N-methyl-1H-1,2,4-triazol-5-amine

ethane;3-ethoxy-N-methyl-1H-1,2,4-triazol-5-amine (PubChem CID 169237869) has the molecular formula C7H16N4O and a molecular weight of 172.23 g/mol. Its IUPAC name is ethane;3-ethoxy-N-methyl-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Nameethane;3-ethoxy-N-methyl-1H-1,2,4-triazol-5-amine
PubChem CID169237869
Molecular FormulaC7H16N4O
Molecular Weight172.23 g/mol
Exact Mass172.13
IUPAC Nameethane;3-ethoxy-N-methyl-1H-1,2,4-triazol-5-amine
SMILESCC.CCOc1n[nH]c(NC)n1
InChIInChI=1S/C5H10N4O.C2H6/c1-3-10-5-7-4(6-2)8-9-5;1-2/h3H2,1-2H3,(H2,6,7,8,9);1-2H3
InChIKeySMOUGZAJVPTQCQ-UHFFFAOYSA-N
XLogP1.27
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 51.27
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-propoxy-1H-1,2,4-triazol-5-amine
CID 20307918
3-butoxy-1H-1,2,4-triazol-5-amine
CID 20307921
5-ethoxy-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112596254
3-ethoxy-N-methyl-1H-1,2,4-triazol-5-amine
CID 123906391
3-ethoxy-N-propan-2-yl-1H-1,2,4-triazol-5-amine
CID 169237444
3-propan-2-yloxy-1H-1,2,4-triazol-5-amine
CID 100786220
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)formamide
CID 104817287
1-(3-ethoxy-1H-1,2,4-triazol-5-yl)-3-methylurea
CID 104818432
3-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,1-dimethylurea
CID 104818438
(3-ethoxy-1H-1,2,4-triazol-5-yl)urea
CID 104818440
5-(dimethylsulfamoylamino)-3-ethoxy-1H-1,2,4-triazole
CID 104818673

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethoxy-N-methyl-1H-1,2,4-triazol-5-amine?
The IUPAC name of ethane;3-ethoxy-N-methyl-1H-1,2,4-triazol-5-amine (CID 169237869) is ethane;3-ethoxy-N-methyl-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for ethane;3-ethoxy-N-methyl-1H-1,2,4-triazol-5-amine?
The canonical SMILES for ethane;3-ethoxy-N-methyl-1H-1,2,4-triazol-5-amine is CC.CCOc1n[nH]c(NC)n1.
What is the InChIKey of ethane;3-ethoxy-N-methyl-1H-1,2,4-triazol-5-amine?
The InChIKey is SMOUGZAJVPTQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O.C2H6/c1-3-10-5-7-4(6-2)8-9-5;1-2/h3H2,1-2H3,(H2,6,7,8,9);1-2H3.
What are the key properties of ethane;3-ethoxy-N-methyl-1H-1,2,4-triazol-5-amine?
ethane;3-ethoxy-N-methyl-1H-1,2,4-triazol-5-amine has a molecular weight of 172.23 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethoxy-N-methyl-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 169237869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).