5-[1-(2-aminoethyl)triazol-4-yl]-2-methyl-1,2,4-triazol-3-amine

C7H12N8 — CID 104605679

IUPAC5-[1-(2-aminoethyl)triazol-4-yl]-2-methyl-1,2,4-triazol-3-amine
SMILESCn1nc(-c2cn(CCN)nn2)nc1N
InChIInChI=1S/C7H12N8/c1-14-7(9)10-6(12-14)5-4-15(3-2-8)13-11-5/h4H,2-3,8H2,1H3,(H2,9,10,12)
InChIKeyNCENJFSACYEICD-UHFFFAOYSA-N
MW208.23 g/mol
LogP-1.39
Rot. Bonds3

About 5-[1-(2-aminoethyl)triazol-4-yl]-2-methyl-1,2,4-triazol-3-amine

5-[1-(2-aminoethyl)triazol-4-yl]-2-methyl-1,2,4-triazol-3-amine (PubChem CID 104605679) has the molecular formula C7H12N8 and a molecular weight of 208.23 g/mol. Its IUPAC name is 5-[1-(2-aminoethyl)triazol-4-yl]-2-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[1-(2-aminoethyl)triazol-4-yl]-2-methyl-1,2,4-triazol-3-amine
PubChem CID104605679
Molecular FormulaC7H12N8
Molecular Weight208.23 g/mol
Exact Mass208.12
IUPAC Name5-[1-(2-aminoethyl)triazol-4-yl]-2-methyl-1,2,4-triazol-3-amine
SMILESCn1nc(-c2cn(CCN)nn2)nc1N
InChIInChI=1S/C7H12N8/c1-14-7(9)10-6(12-14)5-4-15(3-2-8)13-11-5/h4H,2-3,8H2,1H3,(H2,9,10,12)
InChIKeyNCENJFSACYEICD-UHFFFAOYSA-N
XLogP-1.39
TPSA113.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-(2-ethylpyrazol-3-yl)triazol-1-yl]ethanamine
CID 114558319
2-[4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine
CID 103372724
2-[4-(3-bromo-4-methylphenyl)triazol-1-yl]ethanamine
CID 105411955
2-[4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine
CID 107917721
2-[4-(1-hydrazinylethenyl)triazol-1-yl]ethanamine
CID 160731943
1-[1-(2-aminoethyl)triazol-4-yl]ethanamine
CID 114419716
2-[4-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)triazol-1-yl]ethanamine
CID 114353517
2-[4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine
CID 79613967
2-[4-[2-(difluoromethoxy)phenyl]triazol-1-yl]ethanamine
CID 113412298
2-[1-(2-aminoethyl)triazol-4-yl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 114455501
ethyl 5-[1-(2-aminoethyl)triazol-4-yl]-1,2,4-oxadiazole-3-carboxylate
CID 112631666
2-[1-(2-aminoethyl)triazol-4-yl]-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821991

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-aminoethyl)triazol-4-yl]-2-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-[1-(2-aminoethyl)triazol-4-yl]-2-methyl-1,2,4-triazol-3-amine (CID 104605679) is 5-[1-(2-aminoethyl)triazol-4-yl]-2-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[1-(2-aminoethyl)triazol-4-yl]-2-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[1-(2-aminoethyl)triazol-4-yl]-2-methyl-1,2,4-triazol-3-amine is Cn1nc(-c2cn(CCN)nn2)nc1N.
What is the InChIKey of 5-[1-(2-aminoethyl)triazol-4-yl]-2-methyl-1,2,4-triazol-3-amine?
The InChIKey is NCENJFSACYEICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N8/c1-14-7(9)10-6(12-14)5-4-15(3-2-8)13-11-5/h4H,2-3,8H2,1H3,(H2,9,10,12).
What are the key properties of 5-[1-(2-aminoethyl)triazol-4-yl]-2-methyl-1,2,4-triazol-3-amine?
5-[1-(2-aminoethyl)triazol-4-yl]-2-methyl-1,2,4-triazol-3-amine has a molecular weight of 208.23 g/mol, XLogP of -1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-aminoethyl)triazol-4-yl]-2-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 104605679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).