3-[5-(aminomethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine

C10H19N5O — CID 91790687

IUPAC3-[5-(aminomethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESCOCCn1c(CN)nnc1C1CC(N)C1
InChIInChI=1S/C10H19N5O/c1-16-3-2-15-9(6-11)13-14-10(15)7-4-8(12)5-7/h7-8H,2-6,11-12H2,1H3
InChIKeyGKSREMUNCCFYSV-UHFFFAOYSA-N
MW225.30 g/mol
LogP-0.41
Rot. Bonds5

About 3-[5-(aminomethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine

3-[5-(aminomethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine (PubChem CID 91790687) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 3-[5-(aminomethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[5-(aminomethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine
PubChem CID91790687
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name3-[5-(aminomethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESCOCCn1c(CN)nnc1C1CC(N)C1
InChIInChI=1S/C10H19N5O/c1-16-3-2-15-9(6-11)13-14-10(15)7-4-8(12)5-7/h7-8H,2-6,11-12H2,1H3
InChIKeyGKSREMUNCCFYSV-UHFFFAOYSA-N
XLogP-0.41
TPSA91.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-5,6-dimethylpyridin-2-one
CID 91761993
2-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methylamino]pyridin-3-ol
CID 91797377
3-[4-(2-methoxyethyl)-5-[(2-methyl-1,3-benzoxazol-6-yl)oxymethyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91767780
2-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 91760991
3-[4-(2-methoxyethyl)-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91792134
3-(chloromethyl)-5-cyclopentyl-4-(2-methoxyethyl)-1,2,4-triazole
CID 115397530
3-(bromomethyl)-5-cyclooctyl-4-(2-methoxyethyl)-1,2,4-triazole
CID 113302276
[4-(2-methoxyethyl)-5-(5-methyloxolan-3-yl)-1,2,4-triazol-3-yl]methanol
CID 114827237
[4-(2-methoxyethyl)-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanamine
CID 112592777
[4-(2-methoxyethyl)-5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-triazol-3-yl]methanamine
CID 112592780
[4-(2-methoxyethyl)-5-pentyl-1,2,4-triazol-3-yl]methanamine
CID 112592767
[4-(2-methoxyethyl)-5-[3-(oxan-4-ylamino)cyclobutyl]-1,2,4-triazol-3-yl]methanol
CID 91781965

Frequently Asked Questions

What is the IUPAC name of 3-[5-(aminomethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 3-[5-(aminomethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine (CID 91790687) is 3-[5-(aminomethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[5-(aminomethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[5-(aminomethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine is COCCn1c(CN)nnc1C1CC(N)C1.
What is the InChIKey of 3-[5-(aminomethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The InChIKey is GKSREMUNCCFYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-16-3-2-15-9(6-11)13-14-10(15)7-4-8(12)5-7/h7-8H,2-6,11-12H2,1H3.
What are the key properties of 3-[5-(aminomethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine?
3-[5-(aminomethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine has a molecular weight of 225.30 g/mol, XLogP of -0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(aminomethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 91790687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).