(1-methyltriazol-4-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate

C12H15N5O2 — CID 107052158

IUPAC(1-methyltriazol-4-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
SMILESCn1cc(COC(=O)c2cc(N)cn2C2CC2)nn1
InChIInChI=1S/C12H15N5O2/c1-16-6-9(14-15-16)7-19-12(18)11-4-8(13)5-17(11)10-2-3-10/h4-6,10H,2-3,7,13H2,1H3
InChIKeyUMCVXTAPFKFVGU-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.89
Rot. Bonds4

About (1-methyltriazol-4-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate

(1-methyltriazol-4-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate (PubChem CID 107052158) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is (1-methyltriazol-4-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate.

Molecular Properties

Compound Name(1-methyltriazol-4-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
PubChem CID107052158
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name(1-methyltriazol-4-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
SMILESCn1cc(COC(=O)c2cc(N)cn2C2CC2)nn1
InChIInChI=1S/C12H15N5O2/c1-16-6-9(14-15-16)7-19-12(18)11-4-8(13)5-17(11)10-2-3-10/h4-6,10H,2-3,7,13H2,1H3
InChIKeyUMCVXTAPFKFVGU-UHFFFAOYSA-N
XLogP0.89
TPSA87.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(1-methylpyrazol-3-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 82876097
(1-methyltriazol-4-yl)methyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 107052153
2-hydroxyethyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 61314738
benzyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 61308860
ethoxymethyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 65366812
3-methoxypropyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 61309416
(1-methyltriazol-4-yl)methyl 5-amino-2-chlorobenzoate
CID 107052105
(2,6-difluorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 114933000
2-methylbutyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 62104592
3-ethoxypropyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 65180401
(1-methyltriazol-4-yl)methyl acetate
CID 89224817
(2-chlorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 61308313

Frequently Asked Questions

What is the IUPAC name of (1-methyltriazol-4-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate?
The IUPAC name of (1-methyltriazol-4-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate (CID 107052158) is (1-methyltriazol-4-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate.
What is the SMILES notation for (1-methyltriazol-4-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate?
The canonical SMILES for (1-methyltriazol-4-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate is Cn1cc(COC(=O)c2cc(N)cn2C2CC2)nn1.
What is the InChIKey of (1-methyltriazol-4-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate?
The InChIKey is UMCVXTAPFKFVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-16-6-9(14-15-16)7-19-12(18)11-4-8(13)5-17(11)10-2-3-10/h4-6,10H,2-3,7,13H2,1H3.
What are the key properties of (1-methyltriazol-4-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate?
(1-methyltriazol-4-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyltriazol-4-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate is sourced from PubChem (CID 107052158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).