2-[1-(1H-1,2,4-triazol-5-yl)ethyl]guanidine

C5H10N6 — CID 106282694

IUPAC2-[1-(1H-1,2,4-triazol-5-yl)ethyl]guanidine
SMILESCC(N=C(N)N)c1ncn[nH]1
InChIInChI=1S/C5H10N6/c1-3(10-5(6)7)4-8-2-9-11-4/h2-3H,1H3,(H4,6,7,10)(H,8,9,11)
InChIKeyXFZGCIQMIYCTEB-UHFFFAOYSA-N
MW154.18 g/mol
LogP-0.86
Rot. Bonds2

About 2-[1-(1H-1,2,4-triazol-5-yl)ethyl]guanidine

2-[1-(1H-1,2,4-triazol-5-yl)ethyl]guanidine (PubChem CID 106282694) has the molecular formula C5H10N6 and a molecular weight of 154.18 g/mol. Its IUPAC name is 2-[1-(1H-1,2,4-triazol-5-yl)ethyl]guanidine.

Molecular Properties

Compound Name2-[1-(1H-1,2,4-triazol-5-yl)ethyl]guanidine
PubChem CID106282694
Molecular FormulaC5H10N6
Molecular Weight154.18 g/mol
Exact Mass154.10
IUPAC Name2-[1-(1H-1,2,4-triazol-5-yl)ethyl]guanidine
SMILESCC(N=C(N)N)c1ncn[nH]1
InChIInChI=1S/C5H10N6/c1-3(10-5(6)7)4-8-2-9-11-4/h2-3H,1H3,(H4,6,7,10)(H,8,9,11)
InChIKeyXFZGCIQMIYCTEB-UHFFFAOYSA-N
XLogP-0.86
TPSA105.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.18
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-2-[1-(1H-1,2,4-triazol-5-yl)ethyl]guanidine
CID 114168040
5-propan-2-yl-1H-1,2,4-triazole
CID 165097993
methane;5-propan-2-yl-1H-1,2,4-triazole
CID 158048677
1-(1H-1,2,4-triazol-5-yl)propane-1,2-diol
CID 67570980
N'-methyl-1H-1,2,4-triazole-5-carboximidamide
CID 135965193
(1S)-1-(1H-1,2,4-triazol-5-yl)propan-1-ol
CID 124509417
[2-methyl-1-(1H-1,2,4-triazol-5-yl)propyl]hydrazine
CID 105230450
2-(carbamoylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 103725995
1-propan-2-yl-2-(1H-1,2,4-triazol-5-ylmethyl)guanidine
CID 62362824
3-(1H-1,2,4-triazol-5-yl)butanoic acid
CID 83389337
2-(1H-1,2,4-triazol-5-yl)propanal
CID 23285057
1-[(1Z)-3-(benzimidazol-1-yl)buta-1,3-dienyl]-2-[1-(1H-1,2,4-triazol-5-yl)ethyl]guanidine
CID 142035751

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-1,2,4-triazol-5-yl)ethyl]guanidine?
The IUPAC name of 2-[1-(1H-1,2,4-triazol-5-yl)ethyl]guanidine (CID 106282694) is 2-[1-(1H-1,2,4-triazol-5-yl)ethyl]guanidine.
What is the SMILES notation for 2-[1-(1H-1,2,4-triazol-5-yl)ethyl]guanidine?
The canonical SMILES for 2-[1-(1H-1,2,4-triazol-5-yl)ethyl]guanidine is CC(N=C(N)N)c1ncn[nH]1.
What is the InChIKey of 2-[1-(1H-1,2,4-triazol-5-yl)ethyl]guanidine?
The InChIKey is XFZGCIQMIYCTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N6/c1-3(10-5(6)7)4-8-2-9-11-4/h2-3H,1H3,(H4,6,7,10)(H,8,9,11).
What are the key properties of 2-[1-(1H-1,2,4-triazol-5-yl)ethyl]guanidine?
2-[1-(1H-1,2,4-triazol-5-yl)ethyl]guanidine has a molecular weight of 154.18 g/mol, XLogP of -0.86, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-1,2,4-triazol-5-yl)ethyl]guanidine is sourced from PubChem (CID 106282694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).