butan-2-yl 2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)acetate

C12H19N3O2 — CID 167752619

IUPACbutan-2-yl 2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)acetate
SMILESCCC(C)OC(=O)Cc1nc(C2CC2)nn1C
InChIInChI=1S/C12H19N3O2/c1-4-8(2)17-11(16)7-10-13-12(9-5-6-9)14-15(10)3/h8-9H,4-7H2,1-3H3
InChIKeyFXPADIAREJQFCV-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.58
Rot. Bonds5

About butan-2-yl 2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)acetate

butan-2-yl 2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)acetate (PubChem CID 167752619) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is butan-2-yl 2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)acetate.

Molecular Properties

Compound Namebutan-2-yl 2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)acetate
PubChem CID167752619
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Namebutan-2-yl 2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)acetate
SMILESCCC(C)OC(=O)Cc1nc(C2CC2)nn1C
InChIInChI=1S/C12H19N3O2/c1-4-8(2)17-11(16)7-10-13-12(9-5-6-9)14-15(10)3/h8-9H,4-7H2,1-3H3
InChIKeyFXPADIAREJQFCV-UHFFFAOYSA-N
XLogP1.58
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)acetic acid
CID 62722916
4-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-3-methylbutanoic acid
CID 62941672
(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methanamine
CID 62720360
4-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-3-methylbutanoic acid
CID 62943913
2-[3-[[2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)acetyl]amino]phenyl]propanoic acid
CID 154782308
2-[(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)methoxy]acetic acid
CID 55111659
N-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
CID 62720716
2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-N-ethylethanamine
CID 62720706
2-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methylamino]pyrimidine-5-carboxylic acid
CID 167908959
4-[[[2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)acetyl]amino]methyl]-3-fluorobenzoic acid
CID 138032529
6-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)hexan-1-amine
CID 62721244
2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]acetamide
CID 167752647

Frequently Asked Questions

What is the IUPAC name of butan-2-yl 2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)acetate?
The IUPAC name of butan-2-yl 2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)acetate (CID 167752619) is butan-2-yl 2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)acetate.
What is the SMILES notation for butan-2-yl 2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)acetate?
The canonical SMILES for butan-2-yl 2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)acetate is CCC(C)OC(=O)Cc1nc(C2CC2)nn1C.
What is the InChIKey of butan-2-yl 2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)acetate?
The InChIKey is FXPADIAREJQFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-4-8(2)17-11(16)7-10-13-12(9-5-6-9)14-15(10)3/h8-9H,4-7H2,1-3H3.
What are the key properties of butan-2-yl 2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)acetate?
butan-2-yl 2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)acetate has a molecular weight of 237.30 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl 2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)acetate is sourced from PubChem (CID 167752619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).