3-N-(2-propan-2-yloxyethyl)-1H-1,2,4-triazole-3,5-diamine

C7H15N5O — CID 104766883

IUPAC3-N-(2-propan-2-yloxyethyl)-1H-1,2,4-triazole-3,5-diamine
SMILESCC(C)OCCNc1n[nH]c(N)n1
InChIInChI=1S/C7H15N5O/c1-5(2)13-4-3-9-7-10-6(8)11-12-7/h5H,3-4H2,1-2H3,(H4,8,9,10,11,12)
InChIKeyUPQBYBRRGBXYPV-UHFFFAOYSA-N
MW185.23 g/mol
LogP0.22
Rot. Bonds5

About 3-N-(2-propan-2-yloxyethyl)-1H-1,2,4-triazole-3,5-diamine

3-N-(2-propan-2-yloxyethyl)-1H-1,2,4-triazole-3,5-diamine (PubChem CID 104766883) has the molecular formula C7H15N5O and a molecular weight of 185.23 g/mol. Its IUPAC name is 3-N-(2-propan-2-yloxyethyl)-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-(2-propan-2-yloxyethyl)-1H-1,2,4-triazole-3,5-diamine
PubChem CID104766883
Molecular FormulaC7H15N5O
Molecular Weight185.23 g/mol
Exact Mass185.13
IUPAC Name3-N-(2-propan-2-yloxyethyl)-1H-1,2,4-triazole-3,5-diamine
SMILESCC(C)OCCNc1n[nH]c(N)n1
InChIInChI=1S/C7H15N5O/c1-5(2)13-4-3-9-7-10-6(8)11-12-7/h5H,3-4H2,1-2H3,(H4,8,9,10,11,12)
InChIKeyUPQBYBRRGBXYPV-UHFFFAOYSA-N
XLogP0.22
TPSA88.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-N-(2-butoxyethyl)-1H-1,2,4-triazole-3,5-diamine
CID 66274500
2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)amino]ethoxy]ethanol
CID 66277342
3-N-(2-but-3-enoxyethyl)-1H-1,2,4-triazole-3,5-diamine
CID 106411424
2-[3-[(5-amino-1H-1,2,4-triazol-3-yl)amino]propoxy]ethanol
CID 106311418
3-N-(2-ethoxy-2-methylpropyl)-1H-1,2,4-triazole-3,5-diamine
CID 114944580
3-N-[3-(4-methylpiperazin-1-yl)propyl]-1H-1,2,4-triazole-3,5-diamine
CID 58878169
3-N-(3-methylbut-2-enyl)-1H-1,2,4-triazole-3,5-diamine
CID 106198150
3-N-(1-cyclopropylpropan-2-yl)-1H-1,2,4-triazole-3,5-diamine
CID 66276901
3-N-(2-methyl-2-phenylpropyl)-1H-1,2,4-triazole-3,5-diamine
CID 66275612
3-N-(2-prop-2-enylsulfanylethyl)-1H-1,2,4-triazole-3,5-diamine
CID 106433852
6-piperidin-1-yl-2-N-(2-propan-2-yloxyethyl)-1,3,5-triazine-2,4-diamine
CID 104767021
3-N-[2-(cyclopenten-1-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine
CID 106174357

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-propan-2-yloxyethyl)-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-(2-propan-2-yloxyethyl)-1H-1,2,4-triazole-3,5-diamine (CID 104766883) is 3-N-(2-propan-2-yloxyethyl)-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-(2-propan-2-yloxyethyl)-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-(2-propan-2-yloxyethyl)-1H-1,2,4-triazole-3,5-diamine is CC(C)OCCNc1n[nH]c(N)n1.
What is the InChIKey of 3-N-(2-propan-2-yloxyethyl)-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is UPQBYBRRGBXYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5O/c1-5(2)13-4-3-9-7-10-6(8)11-12-7/h5H,3-4H2,1-2H3,(H4,8,9,10,11,12).
What are the key properties of 3-N-(2-propan-2-yloxyethyl)-1H-1,2,4-triazole-3,5-diamine?
3-N-(2-propan-2-yloxyethyl)-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 185.23 g/mol, XLogP of 0.22, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-propan-2-yloxyethyl)-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 104766883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).