cyclopropylmethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate

C8H12N4O2 — CID 61308843

IUPACcyclopropylmethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
SMILESNc1ncn(CC(=O)OCC2CC2)n1
InChIInChI=1S/C8H12N4O2/c9-8-10-5-12(11-8)3-7(13)14-4-6-1-2-6/h5-6H,1-4H2,(H2,9,11)
InChIKeyFTRXQWDCTPQPBQ-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.19
Rot. Bonds4

About cyclopropylmethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate

cyclopropylmethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate (PubChem CID 61308843) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is cyclopropylmethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate.

Molecular Properties

Compound Namecyclopropylmethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
PubChem CID61308843
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Namecyclopropylmethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
SMILESNc1ncn(CC(=O)OCC2CC2)n1
InChIInChI=1S/C8H12N4O2/c9-8-10-5-12(11-8)3-7(13)14-4-6-1-2-6/h5-6H,1-4H2,(H2,9,11)
InChIKeyFTRXQWDCTPQPBQ-UHFFFAOYSA-N
XLogP-0.19
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate?
The IUPAC name of cyclopropylmethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate (CID 61308843) is cyclopropylmethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate.
What is the SMILES notation for cyclopropylmethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate?
The canonical SMILES for cyclopropylmethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate is Nc1ncn(CC(=O)OCC2CC2)n1.
What is the InChIKey of cyclopropylmethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate?
The InChIKey is FTRXQWDCTPQPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c9-8-10-5-12(11-8)3-7(13)14-4-6-1-2-6/h5-6H,1-4H2,(H2,9,11).
What are the key properties of cyclopropylmethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate?
cyclopropylmethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate has a molecular weight of 196.21 g/mol, XLogP of -0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate is sourced from PubChem (CID 61308843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).