5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole-3,4-diamine

C9H17N5O — CID 103162626

IUPAC5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole-3,4-diamine
SMILESCCOC1CC(Cc2nnc(N)n2N)C1
InChIInChI=1S/C9H17N5O/c1-2-15-7-3-6(4-7)5-8-12-13-9(10)14(8)11/h6-7H,2-5,11H2,1H3,(H2,10,13)
InChIKeyFCMONZXTTDNCDF-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.07
Rot. Bonds4

About 5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole-3,4-diamine

5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole-3,4-diamine (PubChem CID 103162626) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole-3,4-diamine.

Molecular Properties

Compound Name5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole-3,4-diamine
PubChem CID103162626
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole-3,4-diamine
SMILESCCOC1CC(Cc2nnc(N)n2N)C1
InChIInChI=1S/C9H17N5O/c1-2-15-7-3-6(4-7)5-8-12-13-9(10)14(8)11/h6-7H,2-5,11H2,1H3,(H2,10,13)
InChIKeyFCMONZXTTDNCDF-UHFFFAOYSA-N
XLogP-0.07
TPSA91.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2,4,5-Trimethyloxolan-3-yl)-1,2,4-triazole-3,4-diamine
CID 80490166
5-(2-Methyloxolan-3-yl)-1,2,4-triazole-3,4-diamine
CID 80490253
5-(3-Methyloxolan-2-yl)-1,2,4-triazole-3,4-diamine
CID 81575231
5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-amine
CID 103162624
5-[(3-ethoxycyclobutyl)methyl]-N,4-dimethyl-1,2,4-triazol-3-amine
CID 103162630
5-[(3-Ethoxycyclobutyl)methyl]-2-methyl-1,2,4-triazol-3-amine
CID 103162635
3-[(3-ethoxycyclobutyl)methyl]-5-methyl-1H-1,2,4-triazole
CID 103164419
5-[(3-ethoxycyclobutyl)methyl]-3-ethyl-1H-1,2,4-triazole
CID 103164421
5-[(3-ethoxycyclobutyl)methyl]-3-propan-2-yl-1H-1,2,4-triazole
CID 103164423
5-[(3-ethoxycyclobutyl)methyl]-3-propyl-1H-1,2,4-triazole
CID 103164425
3-cyclopropyl-5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazole
CID 103164427
3-cyclohexyl-5-[(3-ethoxycyclobutyl)methyl]-1H-1,2,4-triazole
CID 103164430

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole-3,4-diamine?
The IUPAC name of 5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole-3,4-diamine (CID 103162626) is 5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole-3,4-diamine.
What is the SMILES notation for 5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole-3,4-diamine?
The canonical SMILES for 5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole-3,4-diamine is CCOC1CC(Cc2nnc(N)n2N)C1.
What is the InChIKey of 5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole-3,4-diamine?
The InChIKey is FCMONZXTTDNCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-2-15-7-3-6(4-7)5-8-12-13-9(10)14(8)11/h6-7H,2-5,11H2,1H3,(H2,10,13).
What are the key properties of 5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole-3,4-diamine?
5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole-3,4-diamine has a molecular weight of 211.27 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole-3,4-diamine is sourced from PubChem (CID 103162626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).