(5-amino-1,2,4-triazol-1-yl)-(4-methoxyphenyl)methanone

C10H10N4O2 — CID 118796828

IUPAC(5-amino-1,2,4-triazol-1-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)n2ncnc2N)cc1
InChIInChI=1S/C10H10N4O2/c1-16-8-4-2-7(3-5-8)9(15)14-10(11)12-6-13-14/h2-6H,1H3,(H2,11,12,13)
InChIKeyMDFWUVGMSOBSKJ-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.56
Rot. Bonds2

About (5-amino-1,2,4-triazol-1-yl)-(4-methoxyphenyl)methanone

(5-amino-1,2,4-triazol-1-yl)-(4-methoxyphenyl)methanone (PubChem CID 118796828) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is (5-amino-1,2,4-triazol-1-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(5-amino-1,2,4-triazol-1-yl)-(4-methoxyphenyl)methanone
PubChem CID118796828
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name(5-amino-1,2,4-triazol-1-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)n2ncnc2N)cc1
InChIInChI=1S/C10H10N4O2/c1-16-8-4-2-7(3-5-8)9(15)14-10(11)12-6-13-14/h2-6H,1H3,(H2,11,12,13)
InChIKeyMDFWUVGMSOBSKJ-UHFFFAOYSA-N
XLogP0.56
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-amino-1,2,4-triazole-1-carboxylate
CID 23262594
(5-amino-3-methylpyrazol-1-yl)-(4-methoxyphenyl)methanone
CID 91256750
[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-(4-methoxyphenyl)methanone
CID 1084416
(4-methoxyphenyl)-(1,2,4-triazol-1-yl)methanone
CID 694174
[5-amino-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 4692933
(5-amino-1,2,4-triazol-1-yl)-thiophen-2-ylmethanone
CID 69315568
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
1-[5-amino-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]ethanone
CID 753273
N'-[5-amino-6-[2-(4-methoxybenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19151744
(4-methoxyphenyl)-(2-methylaziridin-1-yl)methanone
CID 11194838
(4-methoxyphenyl)-[5-(5-thiophen-2-ylthiophen-2-yl)pyrazol-1-yl]methanone
CID 2739870
[3-(dimethylamino)azetidin-1-yl]-(4-methoxyphenyl)methanone
CID 143566015

Frequently Asked Questions

What is the IUPAC name of (5-amino-1,2,4-triazol-1-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (5-amino-1,2,4-triazol-1-yl)-(4-methoxyphenyl)methanone (CID 118796828) is (5-amino-1,2,4-triazol-1-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (5-amino-1,2,4-triazol-1-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (5-amino-1,2,4-triazol-1-yl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)n2ncnc2N)cc1.
What is the InChIKey of (5-amino-1,2,4-triazol-1-yl)-(4-methoxyphenyl)methanone?
The InChIKey is MDFWUVGMSOBSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-16-8-4-2-7(3-5-8)9(15)14-10(11)12-6-13-14/h2-6H,1H3,(H2,11,12,13).
What are the key properties of (5-amino-1,2,4-triazol-1-yl)-(4-methoxyphenyl)methanone?
(5-amino-1,2,4-triazol-1-yl)-(4-methoxyphenyl)methanone has a molecular weight of 218.22 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1,2,4-triazol-1-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 118796828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).